methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate

C12H14N2O6P- — CID 86739707

IUPACmethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate
SMILESCOP(=O)([O-])N1CC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C12H15N2O6P/c1-19-21(17,18)14-7-10(11(14)15)13-12(16)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,17,18)/p-1
InChIKeyRVDMHJBQWHCQQE-UHFFFAOYSA-M
MW313.23 g/mol
LogP0.24
Rot. Bonds5

About methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate

methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate (PubChem CID 86739707) has the molecular formula C12H14N2O6P- and a molecular weight of 313.23 g/mol. Its IUPAC name is methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate.

Molecular Properties

Compound Namemethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate
PubChem CID86739707
Molecular FormulaC12H14N2O6P-
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Namemethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate
SMILESCOP(=O)([O-])N1CC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C12H15N2O6P/c1-19-21(17,18)14-7-10(11(14)15)13-12(16)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,17,18)/p-1
InChIKeyRVDMHJBQWHCQQE-UHFFFAOYSA-M
XLogP0.24
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
CID 13366890
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
sodium;hydride;2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 173435022
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
1-[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl]azetidine-2-carboxylic acid
CID 70453484
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
ethyl (2E)-2-[(4S)-1-methyl-5-oxo-4-(phenylmethoxycarbonylamino)pyrrolidin-2-ylidene]acetate
CID 10496783

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate?
The IUPAC name of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate (CID 86739707) is methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate.
What is the SMILES notation for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate?
The canonical SMILES for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate is COP(=O)([O-])N1CC(NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate?
The InChIKey is RVDMHJBQWHCQQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15N2O6P/c1-19-21(17,18)14-7-10(11(14)15)13-12(16)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,17,18)/p-1.
What are the key properties of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate?
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate has a molecular weight of 313.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinate is sourced from PubChem (CID 86739707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).