2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid

C12H16NO4P — CID 70021183

IUPAC2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid
SMILESCOc1ccc(P2(=O)CCCN2CC(=O)O)cc1
InChIInChI=1S/C12H16NO4P/c1-17-10-3-5-11(6-4-10)18(16)8-2-7-13(18)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyYEURSYZOKINWDR-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid

2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid (PubChem CID 70021183) has the molecular formula C12H16NO4P and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid
PubChem CID70021183
Molecular FormulaC12H16NO4P
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid
SMILESCOc1ccc(P2(=O)CCCN2CC(=O)O)cc1
InChIInChI=1S/C12H16NO4P/c1-17-10-3-5-11(6-4-10)18(16)8-2-7-13(18)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyYEURSYZOKINWDR-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]pentanoic acid
CID 18630468
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-4-methylpentanoate
CID 91115333
2-[2-(4-bromophenyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]acetic acid
CID 18630483
methyl (2R)-2-[2-(4-methoxyphenyl)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]-3-phenylpropanoate
CID 86585562
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
CID 138514500
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid (CID 70021183) is 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid is COc1ccc(P2(=O)CCCN2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid?
The InChIKey is YEURSYZOKINWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO4P/c1-17-10-3-5-11(6-4-10)18(16)8-2-7-13(18)9-12(14)15/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid?
2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid has a molecular weight of 269.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxo-1,2λ5-azaphospholidin-1-yl]acetic acid is sourced from PubChem (CID 70021183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).