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

C12H15N2O6P — CID 13366890

IUPACmethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
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)
InChIKeyRVDMHJBQWHCQQE-UHFFFAOYSA-N
MW314.23 g/mol
LogP0.87
Rot. Bonds5

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

methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid (PubChem CID 13366890) has the molecular formula C12H15N2O6P and a molecular weight of 314.23 g/mol. Its IUPAC name is methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
PubChem CID13366890
Molecular FormulaC12H15N2O6P
Molecular Weight314.23 g/mol
Exact Mass314.07
IUPAC Namemethoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid
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)
InChIKeyRVDMHJBQWHCQQE-UHFFFAOYSA-N
XLogP0.87
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]phosphinate
CID 86739707
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
sodium;hydride;2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 173435022
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
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-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
methyl (1S,4R)-2-carbonochloridoyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 87793698

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid?
The IUPAC name of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid (CID 13366890) is methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid.
What is the SMILES notation for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid?
The canonical SMILES for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid is COP(=O)(O)N1CC(NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid?
The InChIKey is RVDMHJBQWHCQQE-UHFFFAOYSA-N. 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).
What are the key properties of methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid?
methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid has a molecular weight of 314.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]phosphinic acid is sourced from PubChem (CID 13366890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).