3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 55007231

IUPAC3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCC1CCC(NC(=O)N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-11-5-7-12(8-6-11)15-14(19)16(3)9-10(2)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYFXJMEUCNDOLLR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid

3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 55007231) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID55007231
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCC1CCC(NC(=O)N(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-11-5-7-12(8-6-11)15-14(19)16(3)9-10(2)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYFXJMEUCNDOLLR-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
CID 103064184
3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013118
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
2-methyl-3-[methyl-[(2-methyloxan-4-yl)carbamoyl]amino]propanoic acid
CID 114108655
2-methyl-3-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]propanoic acid
CID 62409602
3-[(4-hydroxy-4-phenylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122009970
3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014139
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
3-[(2-ethylsulfanylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005466

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 55007231) is 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid is CCC1CCC(NC(=O)N(C)CC(C)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is YFXJMEUCNDOLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11-5-7-12(8-6-11)15-14(19)16(3)9-10(2)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid?
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).