methyl 3-amino-4-oxoazetidine-2-carboxylate

C5H8N2O3 — CID 14230519

IUPACmethyl 3-amino-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1N
InChIInChI=1S/C5H8N2O3/c1-10-5(9)3-2(6)4(8)7-3/h2-3H,6H2,1H3,(H,7,8)
InChIKeyKDGBDILWXRRBDF-UHFFFAOYSA-N
MW144.13 g/mol
LogP-2.01
Rot. Bonds1

About methyl 3-amino-4-oxoazetidine-2-carboxylate

methyl 3-amino-4-oxoazetidine-2-carboxylate (PubChem CID 14230519) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 3-amino-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-oxoazetidine-2-carboxylate
PubChem CID14230519
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Namemethyl 3-amino-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1N
InChIInChI=1S/C5H8N2O3/c1-10-5(9)3-2(6)4(8)7-3/h2-3H,6H2,1H3,(H,7,8)
InChIKeyKDGBDILWXRRBDF-UHFFFAOYSA-N
XLogP-2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-oxoazetidine-2-carboxylate?
The IUPAC name of methyl 3-amino-4-oxoazetidine-2-carboxylate (CID 14230519) is methyl 3-amino-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-oxoazetidine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-oxoazetidine-2-carboxylate is COC(=O)C1NC(=O)C1N.
What is the InChIKey of methyl 3-amino-4-oxoazetidine-2-carboxylate?
The InChIKey is KDGBDILWXRRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-10-5(9)3-2(6)4(8)7-3/h2-3H,6H2,1H3,(H,7,8).
What are the key properties of methyl 3-amino-4-oxoazetidine-2-carboxylate?
methyl 3-amino-4-oxoazetidine-2-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 14230519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).