2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid

C9H12NO4P — CID 12755249

IUPAC2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid
SMILESO=C(O)CNCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c11-9(12)6-10-7-15(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H,13,14)
InChIKeyCGUXMJSQUKSLQM-UHFFFAOYSA-N
MW229.17 g/mol
LogP0.21
Rot. Bonds5

About 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid

2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid (PubChem CID 12755249) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid
PubChem CID12755249
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid
SMILESO=C(O)CNCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c11-9(12)6-10-7-15(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H,13,14)
InChIKeyCGUXMJSQUKSLQM-UHFFFAOYSA-N
XLogP0.21
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 50.21
H-Bond Donors ≤ 53
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-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid?
The IUPAC name of 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid (CID 12755249) is 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid.
What is the SMILES notation for 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid?
The canonical SMILES for 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid is O=C(O)CNCP(=O)(O)c1ccccc1.
What is the InChIKey of 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid?
The InChIKey is CGUXMJSQUKSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4P/c11-9(12)6-10-7-15(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H,13,14).
What are the key properties of 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid?
2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid has a molecular weight of 229.17 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(phenyl)phosphoryl]methylamino]acetic acid is sourced from PubChem (CID 12755249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).