2-amino-3-phenoxy-2-phosphorosopropanoic acid

C9H10NO4P — CID 175465568

IUPAC2-amino-3-phenoxy-2-phosphorosopropanoic acid
SMILESNC(COc1ccccc1)(P=O)C(=O)O
InChIInChI=1S/C9H10NO4P/c10-9(15-13,8(11)12)6-14-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,12)
InChIKeyUIWKNJOVTORGQX-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-3-phenoxy-2-phosphorosopropanoic acid

2-amino-3-phenoxy-2-phosphorosopropanoic acid (PubChem CID 175465568) has the molecular formula C9H10NO4P and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-amino-3-phenoxy-2-phosphorosopropanoic acid.

Molecular Properties

Compound Name2-amino-3-phenoxy-2-phosphorosopropanoic acid
PubChem CID175465568
Molecular FormulaC9H10NO4P
Molecular Weight227.16 g/mol
Exact Mass227.03
IUPAC Name2-amino-3-phenoxy-2-phosphorosopropanoic acid
SMILESNC(COc1ccccc1)(P=O)C(=O)O
InChIInChI=1S/C9H10NO4P/c10-9(15-13,8(11)12)6-14-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,12)
InChIKeyUIWKNJOVTORGQX-UHFFFAOYSA-N
XLogP1.10
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
2-phenoxy-2-(phenoxymethyl)propanedioyl dichloride
CID 139838807
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
2-oxo-3-phenoxypropanoic acid
CID 18994126
2-(phenoxymethyl)-2-phenylperoxybutanedioic acid
CID 88813717
ethyl 2-chloro-2-methyl-3-phenoxypropanoate
CID 23615645
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenoxy-2-phosphorosopropanoic acid?
The IUPAC name of 2-amino-3-phenoxy-2-phosphorosopropanoic acid (CID 175465568) is 2-amino-3-phenoxy-2-phosphorosopropanoic acid.
What is the SMILES notation for 2-amino-3-phenoxy-2-phosphorosopropanoic acid?
The canonical SMILES for 2-amino-3-phenoxy-2-phosphorosopropanoic acid is NC(COc1ccccc1)(P=O)C(=O)O.
What is the InChIKey of 2-amino-3-phenoxy-2-phosphorosopropanoic acid?
The InChIKey is UIWKNJOVTORGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO4P/c10-9(15-13,8(11)12)6-14-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,12).
What are the key properties of 2-amino-3-phenoxy-2-phosphorosopropanoic acid?
2-amino-3-phenoxy-2-phosphorosopropanoic acid has a molecular weight of 227.16 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenoxy-2-phosphorosopropanoic acid is sourced from PubChem (CID 175465568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).