methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate

C15H18N2O5 — CID 67630207

IUPACmethyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
SMILESCOC(=O)CCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O5/c1-21-12(18)8-7-11-13(14(19)16-11)17-15(20)22-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyPLMLCGBBXNHAPY-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.73
Rot. Bonds6

About methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate

methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate (PubChem CID 67630207) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
PubChem CID67630207
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
SMILESCOC(=O)CCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O5/c1-21-12(18)8-7-11-13(14(19)16-11)17-15(20)22-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyPLMLCGBBXNHAPY-UHFFFAOYSA-N
XLogP0.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 54333274
2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 15671336
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
methyl 3-oxo-3-[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutyl]propanoate
CID 169024438
(4-methoxyphenyl)methyl 2-diazo-3-oxo-5-[4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]pentanoate
CID 86755102
benzyl N-[(3R,4R,5R,6R)-4,5-bis[[4-(2,2-dimethylpropanoylamino)phenyl]methoxy]-6-(hydroxymethyl)-2-oxopiperidin-3-yl]carbamate
CID 71713711
benzyl N-[(2S,3S,4R)-4-ethyl-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl]carbamate
CID 11726901

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate?
The IUPAC name of methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate (CID 67630207) is methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate is COC(=O)CCC1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate?
The InChIKey is PLMLCGBBXNHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-12(18)8-7-11-13(14(19)16-11)17-15(20)22-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate?
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate has a molecular weight of 306.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate is sourced from PubChem (CID 67630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).