N-(Diaminomethylidene)aspartic acid
Basic information
- CAS
6133-30-8- Standard SMILES
NC(N)=NC(CC(=O)O)C(=O)O- InChIKey
VVHOUVWJCQOYGG-UHFFFAOYSA-N- Molecular formula
- C5H9N3O4
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.05930578
Overview
N-amidinoaspartic acid is an aspartic acid derivative comprising aspartic acid carrying an N-amidino substituent. It is an aspartic acid derivative, a member of guanidines and a dicarboxylic acid.
Names & identifiers
- Preferred name
- N-(Diaminomethylidene)aspartic acid
- IUPAC
- 2-(diaminomethylideneamino)butanedioic acid
- English name
- Guanidinosuccinic acid
- Molecular formula
- C5H9N3O4
- Molecular weight
- 175.14
Names & synonyms
DTXSID80863695N-(Diaminomethylidene)aspartic acidRefChem:1091419DTXCID00812281N-amidinoaspartic acidNSC 49078BRN 2098683L-Aspartic acid, N-(aminoiminomethyl)-n-carbamimidoylaspartic acidAspartic acid, N-amidino-Aspartic acid, N-amidino-, L-SCHEMBL600767
Show more names
guanidinosuccic acidn-amidino-asparticaciGuanidinosuccinic acidN-amidino-L-asparticaci2-Guanidinosuccinic acidL-N-Amidinoaspartic acid
CHEBI:90143VVHOUVWJCQOYGG-UHFFFAOYSA-NNSC49078NSC-49078SB45280DB-297628Q27162351
Database identifiers
- CAS
6133-30-8- PubChem CID
- 97856
- DTXSID
DTXSID80863695- ChEBI
CHEBI:90143
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 344.5 · 344.5±52.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 1 mg/ml; · DMSO: 1 mg/ml; PBS (pH 7.2): 5 mg/ml
- form
- A solid
- pka
- 3.22 · 3.22±0.23(Predicted)
- color
- White to off-white
- WGK Germany
- 3 · 3
- RTECS
- 9098875 · CI9098875
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
- rtecs
- CI9098875
Chemistry & industry
Applications
UsesGuanidinosuccinic acid is a nitrogenous metabolite.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An aspartic acid derivative comprising L-aspartic acid carrying an N-amidino substituent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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