4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid

C15H20N2O3 — CID 63116323

IUPAC4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H20N2O3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8,16H2,(H,17,18)(H,19,20)
InChIKeyNQDNFWUEVPXVNS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.88
Rot. Bonds5

About 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid

4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid (PubChem CID 63116323) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
PubChem CID63116323
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C15H20N2O3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8,16H2,(H,17,18)(H,19,20)
InChIKeyNQDNFWUEVPXVNS-UHFFFAOYSA-N
XLogP2.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
4-amino-2-(3,3-dimethylbutanoylamino)benzoic acid
CID 63116322
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
N-(5-bromo-2-carbamothioylphenyl)-3-cyclohexylpropanamide
CID 107798584
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
dimethyl 2-(3-cyclohexylpropanoylamino)benzene-1,4-dicarboxylate
CID 843119
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
5-amino-2-(cyclobutylmethylamino)benzoic acid
CID 60989727
N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
CID 43549850

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid?
The IUPAC name of 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid (CID 63116323) is 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid?
The canonical SMILES for 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid?
The InChIKey is NQDNFWUEVPXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-11-6-7-12(15(19)20)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8,16H2,(H,17,18)(H,19,20).
What are the key properties of 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid?
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid is sourced from PubChem (CID 63116323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).