4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 63783865

IUPAC4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(10-11-4-2-3-5-11)14(17)12-6-8-13(9-7-12)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyLMQKGNDMNVQCCF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds4

About 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783865) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783865
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(10-11-4-2-3-5-11)14(17)12-6-8-13(9-7-12)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyLMQKGNDMNVQCCF-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115151536
6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63632116
(1S,6R)-6-[cyclopentylmethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962435
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
CID 115151311
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783865) is 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(CC1CCCC1)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LMQKGNDMNVQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16(10-11-4-2-3-5-11)14(17)12-6-8-13(9-7-12)15(18)19/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).