2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid

C13H14N2O5 — CID 16771086

IUPAC2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-6-5-9(15(19)20)7-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyPKFOYLRBDNHWMV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.42
Rot. Bonds4

About 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid

2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid (PubChem CID 16771086) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
PubChem CID16771086
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-6-5-9(15(19)20)7-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyPKFOYLRBDNHWMV-UHFFFAOYSA-N
XLogP2.42
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitrobenzoic acid
CID 29036587
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid?
The IUPAC name of 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid (CID 16771086) is 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid?
The InChIKey is PKFOYLRBDNHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-6-5-9(15(19)20)7-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid?
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid has a molecular weight of 278.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid is sourced from PubChem (CID 16771086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).