2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid

C13H14N2O5 — CID 63110863

IUPAC2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyNWLUXUZWELHFAH-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.42
Rot. Bonds4

About 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid

2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid (PubChem CID 63110863) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
PubChem CID63110863
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyNWLUXUZWELHFAH-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'}

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Related Compounds

2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
4-nitro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63110780
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
2-(cyclopentylsulfonylamino)-4-nitrobenzoic acid
CID 105360812
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
4-nitro-2-(prop-2-enoylamino)benzoic acid
CID 63110805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid?
The IUPAC name of 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid (CID 63110863) is 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid?
The InChIKey is NWLUXUZWELHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-12(8-3-1-2-4-8)14-11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid?
2-(cyclopentanecarbonylamino)-4-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)-4-nitrobenzoic acid is sourced from PubChem (CID 63110863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).