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

C14H16N2O5 — CID 66033111

IUPAC3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O5/c1-8-3-2-4-11(12(8)16(20)21)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIHJBFQIOWGTSGY-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.89
Rot. Bonds4

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

3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66033111) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66033111
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O5/c1-8-3-2-4-11(12(8)16(20)21)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIHJBFQIOWGTSGY-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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

N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540639
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
methyl (3S)-3-[(3-methyl-2-nitrobenzoyl)amino]piperidine-1-carboxylate
CID 95158874
3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540515
cis-(1R,3S)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678484
cis-(1S,3R)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676325
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66033111) is 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IHJBFQIOWGTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-3-2-4-11(12(8)16(20)21)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10H,5-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).