2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid

C17H18NO4P — CID 22677712

IUPAC2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid
SMILESO=C(O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1
InChIInChI=1S/C17H18NO4P/c19-17(20)13-18-16(14-7-3-1-4-8-14)11-12-22-23(18,21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyRPGGZCOPHCMPIS-UHFFFAOYSA-N
MW331.31 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid

2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid (PubChem CID 22677712) has the molecular formula C17H18NO4P and a molecular weight of 331.31 g/mol. Its IUPAC name is 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid
PubChem CID22677712
Molecular FormulaC17H18NO4P
Molecular Weight331.31 g/mol
Exact Mass331.10
IUPAC Name2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid
SMILESO=C(O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1
InChIInChI=1S/C17H18NO4P/c19-17(20)13-18-16(14-7-3-1-4-8-14)11-12-22-23(18,21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyRPGGZCOPHCMPIS-UHFFFAOYSA-N
XLogP3.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid (CID 22677712) is 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid is O=C(O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1.
What is the InChIKey of 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid?
The InChIKey is RPGGZCOPHCMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO4P/c19-17(20)13-18-16(14-7-3-1-4-8-14)11-12-22-23(18,21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20).
What are the key properties of 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid?
2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid has a molecular weight of 331.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetic acid is sourced from PubChem (CID 22677712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).