2-benzamidocyclopentane-1-carboxylic acid

C13H15NO3 — CID 64812220

IUPAC2-benzamidocyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)14-11-8-4-7-10(11)13(16)17/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)
InChIKeyZLMNTMFXXCAMFO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds3

About 2-benzamidocyclopentane-1-carboxylic acid

2-benzamidocyclopentane-1-carboxylic acid (PubChem CID 64812220) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-benzamidocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-benzamidocyclopentane-1-carboxylic acid
PubChem CID64812220
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-benzamidocyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)14-11-8-4-7-10(11)13(16)17/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17)
InChIKeyZLMNTMFXXCAMFO-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853

Frequently Asked Questions

What is the IUPAC name of 2-benzamidocyclopentane-1-carboxylic acid?
The IUPAC name of 2-benzamidocyclopentane-1-carboxylic acid (CID 64812220) is 2-benzamidocyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-benzamidocyclopentane-1-carboxylic acid?
The canonical SMILES for 2-benzamidocyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamidocyclopentane-1-carboxylic acid?
The InChIKey is ZLMNTMFXXCAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)14-11-8-4-7-10(11)13(16)17/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-benzamidocyclopentane-1-carboxylic acid?
2-benzamidocyclopentane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidocyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).