methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate

C13H14N2O5 — CID 12762145

IUPACmethyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-19-12(17)10-9(11(16)14-10)15-13(18)20-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,16)(H,15,18)
InChIKeyFFQLYDNZTLLDEX-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.05
Rot. Bonds4

About methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate

methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate (PubChem CID 12762145) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
PubChem CID12762145
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-19-12(17)10-9(11(16)14-10)15-13(18)20-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,16)(H,15,18)
InChIKeyFFQLYDNZTLLDEX-UHFFFAOYSA-N
XLogP-0.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The IUPAC name of methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate (CID 12762145) is methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate is COC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The InChIKey is FFQLYDNZTLLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-12(17)10-9(11(16)14-10)15-13(18)20-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,16)(H,15,18).
What are the key properties of methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate has a molecular weight of 278.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3-(phenylmethoxycarbonylamino)azetidine-2-carboxylate is sourced from PubChem (CID 12762145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).