N-(2-carboxybenzoyl)leucine
Basic information
- CAS
6707-69-3- Standard SMILES
CC(C)C[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)O- InChIKey
VKGNLIVJYDSALI-NSHDSACASA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.11067264
Overview
structure in first source
Names & identifiers
- Preferred name
- N-(2-carboxybenzoyl)leucine
- IUPAC
- 2-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]benzoic acid
Names & synonyms
n-(2-carboxybenzoyl)leucine6707-69-3DTXSID50455167RefChem:161685DTXCID10405986N-(2-Carboxybenzoyl)-L-leucineSCHEMBL30497600(S)-2-((1-Carboxy-3-methylbutyl)carbamoyl)benzoic acid
Database identifiers
- CAS
6707-69-3- PubChem CID
- 11097895
- DTXSID
DTXSID50455167- Nikkaji
- J1.145.567K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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