3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid

C11H20N2O3 — CID 61044220

IUPAC3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
SMILESCC(CNC1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(11(15)16)6-13-9-4-2-8(3-5-9)10(12)14/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyWZMDSBSUFCTFOE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds5

About 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid

3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid (PubChem CID 61044220) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
PubChem CID61044220
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
SMILESCC(CNC1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(11(15)16)6-13-9-4-2-8(3-5-9)10(12)14/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyWZMDSBSUFCTFOE-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
CID 54913944
4-[(4-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxamide
CID 80542023
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
3-(2-ethylbutylamino)cyclohexane-1-carboxamide
CID 115756932

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid (CID 61044220) is 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid is CC(CNC1CCC(C(N)=O)CC1)C(=O)O.
What is the InChIKey of 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid?
The InChIKey is WZMDSBSUFCTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(11(15)16)6-13-9-4-2-8(3-5-9)10(12)14/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid?
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).