[acetamido(phenyl)methyl]phosphonic acid

C9H12NO4P — CID 12726207

IUPAC[acetamido(phenyl)methyl]phosphonic acid
SMILESCC(=O)NC(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H12NO4P/c1-7(11)10-9(15(12,13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,10,11)(H2,12,13,14)
InChIKeyHQYWZBQWBKEENC-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.00
Rot. Bonds3

About [acetamido(phenyl)methyl]phosphonic acid

[acetamido(phenyl)methyl]phosphonic acid (PubChem CID 12726207) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is [acetamido(phenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[acetamido(phenyl)methyl]phosphonic acid
PubChem CID12726207
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name[acetamido(phenyl)methyl]phosphonic acid
SMILESCC(=O)NC(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H12NO4P/c1-7(11)10-9(15(12,13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,10,11)(H2,12,13,14)
InChIKeyHQYWZBQWBKEENC-UHFFFAOYSA-N
XLogP1.00
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.00
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

[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
[phenyl-(tridecylamino)methyl]phosphonic acid
CID 134917630
[(S)-(decylamino)-phenylmethyl]phosphonic acid
CID 98130579
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
CID 129415662
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid
CID 101106290
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
CID 59237081
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
2-acetamido-3-phenylbutanoic acid
CID 14036079
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564

Frequently Asked Questions

What is the IUPAC name of [acetamido(phenyl)methyl]phosphonic acid?
The IUPAC name of [acetamido(phenyl)methyl]phosphonic acid (CID 12726207) is [acetamido(phenyl)methyl]phosphonic acid.
What is the SMILES notation for [acetamido(phenyl)methyl]phosphonic acid?
The canonical SMILES for [acetamido(phenyl)methyl]phosphonic acid is CC(=O)NC(c1ccccc1)P(=O)(O)O.
What is the InChIKey of [acetamido(phenyl)methyl]phosphonic acid?
The InChIKey is HQYWZBQWBKEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-7(11)10-9(15(12,13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,10,11)(H2,12,13,14).
What are the key properties of [acetamido(phenyl)methyl]phosphonic acid?
[acetamido(phenyl)methyl]phosphonic acid has a molecular weight of 229.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [acetamido(phenyl)methyl]phosphonic acid is sourced from PubChem (CID 12726207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).