3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 66030447

IUPAC3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-3-4-6-13(10)17(2)15(20)16-12-8-7-11(9-12)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZFSWFSVRNIJILN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds3

About 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030447) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030447
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-3-4-6-13(10)17(2)15(20)16-12-8-7-11(9-12)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZFSWFSVRNIJILN-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023782
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
1-[methyl-(2-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55004724
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66030447) is 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC1CCCCC1N(C)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZFSWFSVRNIJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-3-4-6-13(10)17(2)15(20)16-12-8-7-11(9-12)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).