(R)-5-(sec-butylamino)-4-(aminocarbonyl)-2-methylbenzoic acid

HCID 57748496
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Basic information

Standard SMILES
CC[C@@H](C)Nc1cc(C(=O)O)c(C)cc1C(N)=O
InChIKey
HGFIWHHGOLVVHN-MRVPVSSYSA-N
Molecular formula
C13H18N2O3
Average molar mass
250.29 g/mol

Names & identifiers

Preferred name
(R)-5-(sec-butylamino)-4-(aminocarbonyl)-2-methylbenzoic acid
IUPAC
5-[[(2R)-butan-2-yl]amino]-4-carbamoyl-2-methylbenzoic acid

Names & synonyms

SCHEMBL2424139SCHEMBL29460660HGFIWHHGOLVVHN-MRVPVSSYSA-N(R)-5-(sec-butylamino)-4-(aminocarbonyl)-2-methylbenzoic acid4-(aminocarbonyl)-2-methyl-5-{[(1R)-1-methylpropyl]amino}benzoic acid

Database identifiers

PubChem CID
57748496

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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