Basic information
- CAS
5624-26-0- Standard SMILES
O=C(O)CCC1NC(=O)NC1=O- InChIKey
VWFWNXQAMGDPGG-UHFFFAOYSA-N- Molecular formula
- C6H8N2O4
- Average molar mass
- 172.14 g/mol
- Monoisotopic mass
- 172.04840674
Overview
Hydantoin-5-propionic acid is a imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. It has a role as a metabolite and a mouse metabolite. It is an imidazolidine-2,4-dione and a monocarboxylic acid. It is functionally related to a hydantoin. It is a conjugate acid of a hydantoin-5-propionate.
Names & identifiers
- Preferred name
- 5-Hydantoinpropionic acid
- IUPAC
- 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
- English name
- 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
- Molecular formula
- C6H8N2O4
- Molecular weight
- 172.14
Names & synonyms
5624-26-0Hydantoin-5-propionic acid4-Imidazolidinepropanoic acid, 2,5-dioxo-CHEBI:282971-(2,4-(3H,5H)Imidazoledione)propionic acid5-Hydantoinpropionic acidRefChem:7886003-(2,5-dioxoimidazolidin-4-yl)propanoic acidHydantoin-propionate3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid3-(2,5-dioxo-4-imidazolidinyl)propanoic acidCarglumic Acid Impurity 8
Show more names
HYDANTOIN-5-PROPIONATERacemic glutamate impurity A3-(2,5-diketoimidazolidin-4-yl)propionic acid3-(2,5-dioxoimidazolidin-4-yl)propanoic acid(SALTDATA: FREE)
MFCD027379843-(2,5-dioxo-1,3-diazolidin-4-yl)propanoic acidL-Hydantoin-5-propionic acidL-Hydantoin-5-propionic acid; Carglumic Acid Related Compound A;NSC 23606Carglumic Acid impurity 01Oprea1_310966Oprea1_558366
Database identifiers
- CAS
5624-26-0
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 179 · 179-181 °C(Solv: water (7732-18-5))
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.37 · 4.37±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses3-(2,5-Dioxoimidazolidin-4-yl)propanoic Acid is defined as combinational markers to distinguish hepatocellular carcinoma (HCC) from cirrhosis (CIR).
Suppliers20 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司
Related reactions
4 records
Compound notes
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