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

C17H21NO3 — CID 43360266

IUPAC1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC(=O)C2(c3ccccc3)CCC2)CCCC1
InChIInChI=1S/C17H21NO3/c19-14(18-17(15(20)21)11-4-5-12-17)16(9-6-10-16)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,18,19)(H,20,21)
InChIKeyHHRXYRUNYXJXES-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds4

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

1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43360266) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43360266
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC(=O)C2(c3ccccc3)CCC2)CCCC1
InChIInChI=1S/C17H21NO3/c19-14(18-17(15(20)21)11-4-5-12-17)16(9-6-10-16)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,18,19)(H,20,21)
InChIKeyHHRXYRUNYXJXES-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
CID 62881411
N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
CID 79846404
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 43360266) is 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1(NC(=O)C2(c3ccccc3)CCC2)CCCC1.
What is the InChIKey of 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HHRXYRUNYXJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-14(18-17(15(20)21)11-4-5-12-17)16(9-6-10-16)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,18,19)(H,20,21).
What are the key properties of 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43360266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).