Basic information
- CAS
20208-73-5- Standard SMILES
CCCC(=O)NCC(=O)O- InChIKey
WPSSBBPLVMTKRN-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Overview
Butyrylglycine is a N-acylglycine obtained by formal condensation of the carboxy group of butyric acid with the amino group of glycine. It has a role as a human urinary metabolite. It is functionally related to a butyric acid. It is a conjugate acid of a butyrylglycinate.
Names & identifiers
- Preferred name
- Butyrylglycine
- IUPAC
- 2-(butanoylamino)acetic acid
- English name
- N-(1-oxobutyl)glycine
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
N-Butyrylglycinebutyrylglycine20208-73-52-Butanamidoacetic acid2-(butanoylamino)acetic acidU29P5D8KHLDTXSID80174056CHEBI:89963RefChem:163075DTXCID7096547243-599-6Glycine, N-(1-oxobutyl)-
Show more names
N-n-Butyrylglycine-d22-(butanoylamino)aceticaci2-butanoylaminoacetic acid
N-ButanoylglycineN-(1-Oxobutyl)glycineN-butyryl-GlycineBUTYROYL GLYCINEEINECS 243-599-6MFCD09812238Glycine,N-(1-oxobutyl)-butanamidoacetic acid
Database identifiers
- CAS
20208-73-5- PubChem CID
- 88412
- DTXSID
DTXSID80174056- ChEBI
CHEBI:89963- UNII
- U29P5D8KHL
- EC Number
- 243-599-6
- Nikkaji
- J153.927B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 66 · 66 - 69°C
- storage temp.
- Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 29 P5D8KHL · U29P5D8KHL
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesButyrylglycine is one of the acylglycines, an important class of metabolites that have been used in the diagnosis of several inborn errors of metabolism (IEM).
Suppliers33 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Related reactions
1 records
Compound notes
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