3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid

C16H27NO3 — CID 142274153

IUPAC3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid
SMILESCC1CCC(NC(=O)C2(CCC(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)17-15(20)16(9-2-3-10-16)11-8-14(18)19/h12-13H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyNQZBLHXZBFCOBS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds5

About 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid

3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid (PubChem CID 142274153) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid
PubChem CID142274153
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid
SMILESCC1CCC(NC(=O)C2(CCC(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)17-15(20)16(9-2-3-10-16)11-8-14(18)19/h12-13H,2-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyNQZBLHXZBFCOBS-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
CID 114309108
N-cyclohexyl-1-hexylcyclobutane-1-carboxamide
CID 57011440
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 113384226
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706
N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
CID 115442068
N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide
CID 57184361
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-amino-1-methyl-N-(4-methylcyclohexyl)cyclopentane-1-carboxamide
CID 82765593
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid?
The IUPAC name of 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid (CID 142274153) is 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid.
What is the SMILES notation for 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid?
The canonical SMILES for 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid is CC1CCC(NC(=O)C2(CCC(=O)O)CCCC2)CC1.
What is the InChIKey of 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid?
The InChIKey is NQZBLHXZBFCOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-4-6-13(7-5-12)17-15(20)16(9-2-3-10-16)11-8-14(18)19/h12-13H,2-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid?
3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylcyclohexyl)carbamoyl]cyclopentyl]propanoic acid is sourced from PubChem (CID 142274153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).