3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid

C17H17NO3 — CID 103549777

IUPAC3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H17NO3/c19-16(12-8-9-13(10-12)17(20)21)18-15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13H,8-10H2,(H,18,19)(H,20,21)
InChIKeyACAPHONVMXRSRA-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.28
Rot. Bonds3

About 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103549777) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103549777
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H17NO3/c19-16(12-8-9-13(10-12)17(20)21)18-15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13H,8-10H2,(H,18,19)(H,20,21)
InChIKeyACAPHONVMXRSRA-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-naphthalen-1-yl-9H-fluorene-9-carboxamide
CID 3820990
(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7271639
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121790
1-(6-methylpyridazin-3-yl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 121118852

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103549777) is 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is ACAPHONVMXRSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(12-8-9-13(10-12)17(20)21)18-15-7-3-5-11-4-1-2-6-14(11)15/h1-7,12-13H,8-10H2,(H,18,19)(H,20,21).
What are the key properties of 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).