4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid

C13H18N2O2 — CID 114550813

IUPAC4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2cc(N)ccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-8-2-4-10(6-8)15-12-7-9(14)3-5-11(12)13(16)17/h3,5,7-8,10,15H,2,4,6,14H2,1H3,(H,16,17)
InChIKeyFFVWCAMHVWKVGD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.57
Rot. Bonds3

About 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid

4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid (PubChem CID 114550813) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
PubChem CID114550813
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2cc(N)ccc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-8-2-4-10(6-8)15-12-7-9(14)3-5-11(12)13(16)17/h3,5,7-8,10,15H,2,4,6,14H2,1H3,(H,16,17)
InChIKeyFFVWCAMHVWKVGD-UHFFFAOYSA-N
XLogP2.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.57
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

5-amino-2-[(3-methylcyclopentyl)amino]benzamide
CID 114550804
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541219
2-bromo-3-fluoro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 107540532
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 64740693
2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
CID 114543215
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
4-bromo-2-[(3-methylsulfanylcyclopentyl)amino]benzoic acid
CID 114124329
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
5-amino-2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 114047011

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid (CID 114550813) is 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid is CC1CCC(Nc2cc(N)ccc2C(=O)O)C1.
What is the InChIKey of 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid?
The InChIKey is FFVWCAMHVWKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-2-4-10(6-8)15-12-7-9(14)3-5-11(12)13(16)17/h3,5,7-8,10,15H,2,4,6,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid?
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 114550813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).