methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate

C12H21NO3 — CID 106828162

IUPACmethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(10(14)16-3)13-11(15)12(2)7-5-4-6-8-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyIDVLCKFOWCBREN-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate

methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate (PubChem CID 106828162) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
PubChem CID106828162
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(10(14)16-3)13-11(15)12(2)7-5-4-6-8-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyIDVLCKFOWCBREN-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate 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-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
N-(3,4-dioxopentan-2-yl)-1-methylcycloicosane-1-carboxamide
CID 54048894
methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169291
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
diethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanedioate
CID 106828158
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 165121512
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
CID 80599690
methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
CID 65242652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate (CID 106828162) is methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1(C)CCCCC1.
What is the InChIKey of methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate?
The InChIKey is IDVLCKFOWCBREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(10(14)16-3)13-11(15)12(2)7-5-4-6-8-12/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate?
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate is sourced from PubChem (CID 106828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).