2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H16N2O5 — CID 64813950

IUPAC2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c17-13(9-4-3-5-10(8-9)16(20)21)15-12-7-2-1-6-11(12)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,15,17)(H,18,19)
InChIKeyOUCWHWGYZVJIOP-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64813950) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64813950
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c17-13(9-4-3-5-10(8-9)16(20)21)15-12-7-2-1-6-11(12)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,15,17)(H,18,19)
InChIKeyOUCWHWGYZVJIOP-UHFFFAOYSA-N
XLogP1.97
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.97
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-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
cis-(1R,2S)-2-[(3-methoxy-4-nitrobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 97234210
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
2-(3-nitrobenzoyl)cyclopropane-1-carboxylic acid
CID 23458570
N-(1-methyl-2-oxoazepan-3-yl)-3-nitrobenzamide
CID 53384979
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 64813950) is 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OUCWHWGYZVJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-13(9-4-3-5-10(8-9)16(20)21)15-12-7-2-1-6-11(12)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).