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

HCID 57748590
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Basic information

Standard SMILES
CCNc1cc(C(N)=O)c(N[C@H](C)CC)cc1C(=O)O
InChIKey
UQUAYZOZSSOTEH-MRVPVSSYSA-N
Molecular formula
C14H21N3O3
Average molar mass
279.33 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2426610UQUAYZOZSSOTEH-MRVPVSSYSA-N4-(aminocarbonyl)-2-(ethylamino)-5-{[(1R)-1-methylpropyl]amino}benzoic acid

Database identifiers

PubChem CID
57748590

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
104 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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