2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid

C16H18NO4P — CID 54359445

IUPAC2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid
SMILESCc1ccc(CP(=O)(O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H18NO4P/c1-12-7-9-13(10-8-12)11-22(20,21)17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyULLPTCAZZJECQK-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.10
Rot. Bonds6

About 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid

2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid (PubChem CID 54359445) has the molecular formula C16H18NO4P and a molecular weight of 319.30 g/mol. Its IUPAC name is 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid
PubChem CID54359445
Molecular FormulaC16H18NO4P
Molecular Weight319.30 g/mol
Exact Mass319.10
IUPAC Name2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid
SMILESCc1ccc(CP(=O)(O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H18NO4P/c1-12-7-9-13(10-8-12)11-22(20,21)17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyULLPTCAZZJECQK-UHFFFAOYSA-N
XLogP3.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[benzyl(hydroxy)phosphoryl]amino]butanoic acid
CID 18472741
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
CID 18472816
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
(4-methylphenyl)methylphosphonic acid
CID 2773801
2-[[hydroxy-[(3-methylphenyl)methyl]phosphoryl]amino]pentanedioic acid
CID 18403192
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid (CID 54359445) is 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid is Cc1ccc(CP(=O)(O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid?
The InChIKey is ULLPTCAZZJECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO4P/c1-12-7-9-13(10-8-12)11-22(20,21)17-15(16(18)19)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid?
2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid has a molecular weight of 319.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid is sourced from PubChem (CID 54359445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).