4-(aminocarbonyl)-2-ethyl-5-{[(1R)-1-methylpropyl]amino}benzoic acid

HCID 57748180
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Basic information

Standard SMILES
CCc1cc(C(N)=O)c(N[C@H](C)CC)cc1C(=O)O
InChIKey
DVJNZNXQBJWJCG-MRVPVSSYSA-N
Molecular formula
C14H20N2O3
Average molar mass
264.32 g/mol

Names & identifiers

Preferred name
4-(aminocarbonyl)-2-ethyl-5-{[(1R)-1-methylpropyl]amino}benzoic acid
IUPAC
5-[[(2R)-butan-2-yl]amino]-4-carbamoyl-2-ethylbenzoic acid

Names & synonyms

SCHEMBL2428783DVJNZNXQBJWJCG-MRVPVSSYSA-N4-(aminocarbonyl)-2-ethyl-5-{[(1R)-1-methylpropyl]amino}benzoic acid

Database identifiers

PubChem CID
57748180

Properties

Computed structural properties

XLogP
3
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

Related reactions

1 records
New reaction record

Compound notes

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