4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C16H27NO3 — CID 107416699

IUPAC4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2CCCC2C)C1
InChIInChI=1S/C16H27NO3/c1-3-11-7-13(14(8-11)16(19)20)15(18)17-9-12-6-4-5-10(12)2/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRYDCULVAILGANF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.68
Rot. Bonds5

About 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107416699) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107416699
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC2CCCC2C)C1
InChIInChI=1S/C16H27NO3/c1-3-11-7-13(14(8-11)16(19)20)15(18)17-9-12-6-4-5-10(12)2/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRYDCULVAILGANF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511391
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114429200
(2-methylcyclopentyl)methylurea
CID 107417745
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 107416699) is 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCC2CCCC2C)C1.
What is the InChIKey of 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RYDCULVAILGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-11-7-13(14(8-11)16(19)20)15(18)17-9-12-6-4-5-10(12)2/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107416699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).