1-(phenylmethoxyamino)ethylphosphonous acid

C9H14NO3P — CID 19880141

IUPAC1-(phenylmethoxyamino)ethylphosphonous acid
SMILESCC(NOCc1ccccc1)P(O)O
InChIInChI=1S/C9H14NO3P/c1-8(14(11)12)10-13-7-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3
InChIKeyGGQWFHXARBRCRT-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.35
Rot. Bonds5

About 1-(phenylmethoxyamino)ethylphosphonous acid

1-(phenylmethoxyamino)ethylphosphonous acid (PubChem CID 19880141) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is 1-(phenylmethoxyamino)ethylphosphonous acid.

Molecular Properties

Compound Name1-(phenylmethoxyamino)ethylphosphonous acid
PubChem CID19880141
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC Name1-(phenylmethoxyamino)ethylphosphonous acid
SMILESCC(NOCc1ccccc1)P(O)O
InChIInChI=1S/C9H14NO3P/c1-8(14(11)12)10-13-7-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3
InChIKeyGGQWFHXARBRCRT-UHFFFAOYSA-N
XLogP1.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(phenylmethoxyamino)ethylphosphonous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol
CID 107711187
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
3-methyl-4-oxo-2-(phenylmethoxyamino)butanoic acid
CID 174388539
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
N-phenylmethoxyheptan-2-amine
CID 82709260
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
(2S)-1-dichlorophosphoryl-3-methyl-2-(phenylmethoxyamino)butan-1-one
CID 141239540
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxyamino)ethylphosphonous acid?
The IUPAC name of 1-(phenylmethoxyamino)ethylphosphonous acid (CID 19880141) is 1-(phenylmethoxyamino)ethylphosphonous acid.
What is the SMILES notation for 1-(phenylmethoxyamino)ethylphosphonous acid?
The canonical SMILES for 1-(phenylmethoxyamino)ethylphosphonous acid is CC(NOCc1ccccc1)P(O)O.
What is the InChIKey of 1-(phenylmethoxyamino)ethylphosphonous acid?
The InChIKey is GGQWFHXARBRCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c1-8(14(11)12)10-13-7-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3.
What are the key properties of 1-(phenylmethoxyamino)ethylphosphonous acid?
1-(phenylmethoxyamino)ethylphosphonous acid has a molecular weight of 215.19 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxyamino)ethylphosphonous acid is sourced from PubChem (CID 19880141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).