1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 61292847

IUPAC1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-5-6-10-15(11,13(18)19)17-14(20)16-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeySVUAXCDZGHWZTI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.65
Rot. Bonds3

About 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid

1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61292847) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID61292847
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-5-6-10-15(11,13(18)19)17-14(20)16-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeySVUAXCDZGHWZTI-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
2-methyl-1-(3-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16786937
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 61293031
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid (CID 61292847) is 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is SVUAXCDZGHWZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-7-5-6-10-15(11,13(18)19)17-14(20)16-12-8-3-2-4-9-12/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).