methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate

C13H14N2O5 — CID 70468234

IUPACmethyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
SMILESCOC(=O)C1CC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-19-12(17)10-7-11(16)15(10)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)
InChIKeyIPYGLZDSSUNLQO-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.60
Rot. Bonds4

About methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate

methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate (PubChem CID 70468234) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
PubChem CID70468234
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
SMILESCOC(=O)C1CC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-19-12(17)10-7-11(16)15(10)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)
InChIKeyIPYGLZDSSUNLQO-UHFFFAOYSA-N
XLogP0.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S,5R)-4-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1,3-oxazolidine-5-carboxylate
CID 101166780
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11346476
benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
CID 142686374
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
1-O-benzyl 2-O-methyl (2R,5R)-5-carbamoylpyrrolidine-1,2-dicarboxylate
CID 57408271
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
CID 154897684
2-(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
CID 118995022

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The IUPAC name of methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate (CID 70468234) is methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate is COC(=O)C1CC(=O)N1NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
The InChIKey is IPYGLZDSSUNLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-12(17)10-7-11(16)15(10)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18).
What are the key properties of methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate?
methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate is sourced from PubChem (CID 70468234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).