2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C19H25NO3 — CID 120977496

IUPAC2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C19H25NO3/c21-17(15-8-9-16(15)18(22)23)20-13-19(10-4-5-11-19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,21)(H,22,23)
InChIKeyKLRYTWXQIYLLCV-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.02
Rot. Bonds6

About 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977496) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977496
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C19H25NO3/c21-17(15-8-9-16(15)18(22)23)20-13-19(10-4-5-11-19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,21)(H,22,23)
InChIKeyKLRYTWXQIYLLCV-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 114758096
4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide
CID 75473207
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977496) is 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is KLRYTWXQIYLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17(15-8-9-16(15)18(22)23)20-13-19(10-4-5-11-19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,21)(H,22,23).
What are the key properties of 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).