Basic information
- CAS
84794-58-1- Standard SMILES
COC(=O)C(C)NC(=O)C(C)NC(=O)C(C)N- InChIKey
KNBQDLQVANYHFJ-UHFFFAOYSA-N- Molecular formula
- C10H19N3O4
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.1375561
Overview
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Names & identifiers
- Preferred name
- N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
- IUPAC
- methyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
Names & synonyms
EINECS 284-163-5N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetateDTXSID301005082L-ALANYL-L-ALANYL-L-ALANINE METHYL ESTER ACETATE2-Amino-N-{1-hydroxy-1-[(1-methoxy-1-oxopropan-2-yl)imino]propan-2-yl}propanimidic acid
Database identifiers
- CAS
84794-58-1- PubChem CID
- 541978
- DTXSID
DTXSID301005082
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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