Basic information
- CAS
13184-27-5- Standard SMILES
NC(=O)NC(CC(=O)O)C(=O)O- InChIKey
HLKXYZVTANABHZ-UHFFFAOYSA-N- Molecular formula
- C5H8N2O5
- Average molar mass
- 176.13 g/mol
- Monoisotopic mass
- 176.04332136
Overview
N-carbamoylaspartic acid is an N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a N-carbamoyl-amino acid, an aspartic acid derivative and a C4-dicarboxylic acid. It is a conjugate acid of a N-carbamoylaspartate(2-).
Names & identifiers
- Preferred name
- Ureidosuccinic acid
- IUPAC
- 2-(carbamoylamino)butanedioic acid
- English name
- CARBAMOYL-DL-ASPARTIC ACID
- Molecular formula
- C5H8N2O5
- Molecular weight
- 176.13
Names & synonyms
923-37-5Ureidosuccinic acidDL-Aspartic acid, N-(aminocarbonyl)-O3Y2KY16L1NSC-120033N-CARBAMOYLASPARTIC ACID, DL-RefChem:933849213-096-62-Ureidosuccinic acidN-Carbamoyl-DL-aspartic acidN-(Aminocarbonyl)aspartic acid2-(carbamoylamino)butanedioic acid
Show more names
NCDN-CARBAMYL-DL-ASPDL-UREIDOSUCCINIC ACIDN-carbamoylasparticacicarbamyl-L-aspartic acid(S)-2-ureidosuccinic acid
N-(Aminocarbonyl)-DL-aspartic acidCarbamoyl-DL-aspartic acidMFCD00042822Aspartic acid, N-(aminocarbonyl)-N-CARBAMYL-DL-ASPARTIC ACIDNSC14983Carbamyl-dl-aspartic acidN-?Carbamoyl-?DL-?aspartic acid
Database identifiers
- CAS
13184-27-5、923-37-5- PubChem CID
- 279
- DTXSID
DTXSID701030182- ChEMBL
CHEMBL1161506
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 175 °C · ~175 °C (dec.)
- Boiling point
- 307.71 °C · 307.71°C (rough estimate)
- Density
- 1.6018 · 1.6018 (rough estimate)
- refractive index
- 1.4472 · 1.4472 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 3.65 · 3.65±0.23(Predicted)
- color
- White to Off-White
- Water Solubility
- Soluble in hot water.
- BRN
- 1726861 · 1726861
- InChI
- 1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
- InChIKey
- HLKXYZVTANABHZ-UHFFFAOYSA-N
- SMILES
- NC(=O)NC(CC(O)=O)C(O)=O
- CAS DataBase Reference
- 923 · 923-37-5(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-Carbamoyl-DL-aspartic acid, is a useful biochemical for proteomics research. It is also used as a carbamate derivative which serves as an intermediate in pyrimidine biosynthesis.
Suppliers65 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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