2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid

C11H14NO6P — CID 18403134

IUPAC2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14NO6P/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyOXVBJVMKAPKLRB-UHFFFAOYSA-N
MW287.21 g/mol
LogP0.40
Rot. Bonds7

About 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid

2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid (PubChem CID 18403134) has the molecular formula C11H14NO6P and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid
PubChem CID18403134
Molecular FormulaC11H14NO6P
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14NO6P/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyOXVBJVMKAPKLRB-UHFFFAOYSA-N
XLogP0.40
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 50.40
H-Bond Donors ≤ 54
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]amino]pentanedioic acid?
The IUPAC name of 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid (CID 18403134) is 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid?
The canonical SMILES for 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid is O=C(O)CCC(NP(=O)(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid?
The InChIKey is OXVBJVMKAPKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO6P/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid?
2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid has a molecular weight of 287.21 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(phenyl)phosphoryl]amino]pentanedioic acid is sourced from PubChem (CID 18403134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).