methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate

C8H14N2O2 — CID 83905819

IUPACmethyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate
SMILESCOC(=O)N1CC(C2(N)CC2)C1
InChIInChI=1S/C8H14N2O2/c1-12-7(11)10-4-6(5-10)8(9)2-3-8/h6H,2-5,9H2,1H3
InChIKeyHRNGTBMXFCULEK-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.18
Rot. Bonds1

About methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate

methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate (PubChem CID 83905819) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate
PubChem CID83905819
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namemethyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate
SMILESCOC(=O)N1CC(C2(N)CC2)C1
InChIInChI=1S/C8H14N2O2/c1-12-7(11)10-4-6(5-10)8(9)2-3-8/h6H,2-5,9H2,1H3
InChIKeyHRNGTBMXFCULEK-UHFFFAOYSA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114
methyl 3-methylsulfonylazetidine-1-carboxylate
CID 176706532
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 45089180
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134346989
methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
CID 90845104
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 170992486
methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
CID 146514103

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate?
The IUPAC name of methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate (CID 83905819) is methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate is COC(=O)N1CC(C2(N)CC2)C1.
What is the InChIKey of methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate?
The InChIKey is HRNGTBMXFCULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-12-7(11)10-4-6(5-10)8(9)2-3-8/h6H,2-5,9H2,1H3.
What are the key properties of methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate?
methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate is sourced from PubChem (CID 83905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).