chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid

C10H13ClNO5P — CID 87646166

IUPACchloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid
SMILESC[C@@H](NOCc1ccccc1)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C10H13ClNO5P/c1-8(10(13)17-18(11,14)15)12-16-7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyVLFFKWUMBJMTPP-MRVPVSSYSA-N
MW293.64 g/mol
LogP1.98
Rot. Bonds6

About chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid

chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid (PubChem CID 87646166) has the molecular formula C10H13ClNO5P and a molecular weight of 293.64 g/mol. Its IUPAC name is chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid.

Molecular Properties

Compound Namechloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid
PubChem CID87646166
Molecular FormulaC10H13ClNO5P
Molecular Weight293.64 g/mol
Exact Mass293.02
IUPAC Namechloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid
SMILESC[C@@H](NOCc1ccccc1)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C10H13ClNO5P/c1-8(10(13)17-18(11,14)15)12-16-7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyVLFFKWUMBJMTPP-MRVPVSSYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid
CID 20598733
[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
CID 91435902
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
chloro-[(2S)-2-[[4-(2,3,4-trifluorophenyl)phenyl]methoxyamino]propanoyl]oxyphosphinic acid
CID 87294431
(2S)-1-dichlorophosphoryl-3-methyl-2-(phenylmethoxyamino)butan-1-one
CID 141239540
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
chloro-[(2S)-2-(4-methoxy-N-phenylmethoxyanilino)-4-methylpentanoyl]oxyphosphinic acid
CID 88548153
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxyamino)propanoyl]amino]propanoic acid
CID 142703988
1-[chloro(phenyl)phosphoryl]-2-(phenylmethoxyamino)propan-1-one;2-methyl-1H-imidazole;phosphoryl trichloride
CID 174923715
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296

Frequently Asked Questions

What is the IUPAC name of chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid?
The IUPAC name of chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid (CID 87646166) is chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid.
What is the SMILES notation for chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid?
The canonical SMILES for chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid is C[C@@H](NOCc1ccccc1)C(=O)OP(=O)(O)Cl.
What is the InChIKey of chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid?
The InChIKey is VLFFKWUMBJMTPP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13ClNO5P/c1-8(10(13)17-18(11,14)15)12-16-7-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid?
chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid has a molecular weight of 293.64 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid is sourced from PubChem (CID 87646166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).