3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63279636

IUPAC3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)NC2CCCC2C)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-4-8-15(9-10,13(18)19)17-14(20)16-12-7-3-6-11(12)2/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRWKOWNIEBUGNIY-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds3

About 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63279636) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63279636
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)NC2CCCC2C)(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-4-8-15(9-10,13(18)19)17-14(20)16-12-7-3-6-11(12)2/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRWKOWNIEBUGNIY-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylcyclohexane-1-carboxylic acid
CID 61295025
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[(2-aminocyclopentanecarbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 64823648
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336
3-methyl-1-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63227547
1-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 63993781
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
3-methyl-1-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106403135
1-[(2-amino-3-methylbutanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61293194

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 63279636) is 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)NC2CCCC2C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RWKOWNIEBUGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-4-8-15(9-10,13(18)19)17-14(20)16-12-7-3-6-11(12)2/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).