3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid

C17H21NO3 — CID 66030740

IUPAC3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C17H21NO3/c19-15(20)12-7-8-14(11-12)18-16(21)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2,(H,18,21)(H,19,20)
InChIKeyFKNXRVFSEXNAMF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds4

About 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid

3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030740) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030740
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2(c3ccccc3)CCC2)C1
InChIInChI=1S/C17H21NO3/c19-15(20)12-7-8-14(11-12)18-16(21)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2,(H,18,21)(H,19,20)
InChIKeyFKNXRVFSEXNAMF-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
cis-(1S,3R)-3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108651
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 95580679
(2S,4S)-1-methyl-4-[(1-phenylcyclohexanecarbonyl)amino]pyrrolidine-2-carboxylic acid
CID 91760992
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide
CID 114631181

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030740) is 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2(c3ccccc3)CCC2)C1.
What is the InChIKey of 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FKNXRVFSEXNAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15(20)12-7-8-14(11-12)18-16(21)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2,(H,18,21)(H,19,20).
What are the key properties of 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).