1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 61443714

IUPAC1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)17-16(14(19)20)10-6-3-7-11-16/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyZQNMBSMBCLWHEK-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds4

About 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61443714) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61443714
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)17-16(14(19)20)10-6-3-7-11-16/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyZQNMBSMBCLWHEK-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 62856425
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-[[methyl(oxan-4-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61202972
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61443714) is 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(CC1CCCCC1)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZQNMBSMBCLWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18(12-13-8-4-2-5-9-13)15(21)17-16(14(19)20)10-6-3-7-11-16/h13H,2-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61443714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).