methyl 3-aminoazetidine-1-carboxylate

C5H10N2O2 — CID 18331259

IUPACmethyl 3-aminoazetidine-1-carboxylate
SMILESCOC(=O)N1CC(N)C1
InChIInChI=1S/C5H10N2O2/c1-9-5(8)7-2-4(6)3-7/h4H,2-3,6H2,1H3
InChIKeyXEXOFGFFYFCFLM-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.60
Rot. Bonds

About methyl 3-aminoazetidine-1-carboxylate

methyl 3-aminoazetidine-1-carboxylate (PubChem CID 18331259) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is methyl 3-aminoazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminoazetidine-1-carboxylate
PubChem CID18331259
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namemethyl 3-aminoazetidine-1-carboxylate
SMILESCOC(=O)N1CC(N)C1
InChIInChI=1S/C5H10N2O2/c1-9-5(8)7-2-4(6)3-7/h4H,2-3,6H2,1H3
InChIKeyXEXOFGFFYFCFLM-UHFFFAOYSA-N
XLogP-0.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminoazetidine-1-carboxylate?
The IUPAC name of methyl 3-aminoazetidine-1-carboxylate (CID 18331259) is methyl 3-aminoazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-aminoazetidine-1-carboxylate?
The canonical SMILES for methyl 3-aminoazetidine-1-carboxylate is COC(=O)N1CC(N)C1.
What is the InChIKey of methyl 3-aminoazetidine-1-carboxylate?
The InChIKey is XEXOFGFFYFCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-9-5(8)7-2-4(6)3-7/h4H,2-3,6H2,1H3.
What are the key properties of methyl 3-aminoazetidine-1-carboxylate?
methyl 3-aminoazetidine-1-carboxylate has a molecular weight of 130.15 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminoazetidine-1-carboxylate is sourced from PubChem (CID 18331259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).