methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate

C10H16N2O3 — CID 86780329

IUPACmethyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(NC(=O)C2CC2C)C1
InChIInChI=1S/C10H16N2O3/c1-6-3-8(6)9(13)11-7-4-12(5-7)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,13)
InChIKeyHPJUZVPZKLLSOS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.21
Rot. Bonds2

About methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate

methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate (PubChem CID 86780329) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
PubChem CID86780329
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(NC(=O)C2CC2C)C1
InChIInChI=1S/C10H16N2O3/c1-6-3-8(6)9(13)11-7-4-12(5-7)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,13)
InChIKeyHPJUZVPZKLLSOS-UHFFFAOYSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate 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-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
N-(3-aminocyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 130816162
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate (CID 86780329) is methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate is COC(=O)N1CC(NC(=O)C2CC2C)C1.
What is the InChIKey of methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate?
The InChIKey is HPJUZVPZKLLSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-3-8(6)9(13)11-7-4-12(5-7)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,13).
What are the key properties of methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate?
methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 86780329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).