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

C13H22N2O3 — CID 62410921

IUPAC3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)NC2CC2C)(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-8-4-3-5-13(7-8,11(16)17)15-12(18)14-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWTXYLTVLNJJONF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds3

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

3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 62410921) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID62410921
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)NC2CC2C)(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-8-4-3-5-13(7-8,11(16)17)15-12(18)14-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWTXYLTVLNJJONF-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63279636
1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylcyclohexane-1-carboxylic acid
CID 61295025
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
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
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
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
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 102783217

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 62410921) is 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)NC2CC2C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WTXYLTVLNJJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-4-3-5-13(7-8,11(16)17)15-12(18)14-10-6-9(10)2/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.73, 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-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62410921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).