chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid

C11H15ClNO5P — CID 20598733

IUPACchloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid
SMILESC[C@H](NOCCc1ccccc1)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C11H15ClNO5P/c1-9(11(14)18-19(12,15)16)13-17-8-7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYBHNTRDCWWXVTE-VIFPVBQESA-N
MW307.67 g/mol
LogP2.02
Rot. Bonds7

About chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid

chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid (PubChem CID 20598733) has the molecular formula C11H15ClNO5P and a molecular weight of 307.67 g/mol. Its IUPAC name is chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid.

Molecular Properties

Compound Namechloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid
PubChem CID20598733
Molecular FormulaC11H15ClNO5P
Molecular Weight307.67 g/mol
Exact Mass307.04
IUPAC Namechloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid
SMILESC[C@H](NOCCc1ccccc1)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C11H15ClNO5P/c1-9(11(14)18-19(12,15)16)13-17-8-7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYBHNTRDCWWXVTE-VIFPVBQESA-N
XLogP2.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic 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

chloro-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid
CID 87646166
[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
CID 91435902
(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
CID 87633799
chloro-[(2S)-2-[[4-(2,3,4-trifluorophenyl)phenyl]methoxyamino]propanoyl]oxyphosphinic acid
CID 87294431
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-phenylethyl 4-methylpentanoate
CID 69256004
(2S)-1-dichlorophosphoryl-3-methyl-2-(phenylmethoxyamino)butan-1-one
CID 141239540
2-phenylethyl acetate
CID 7654
chloro-[(2S)-2-(4-methoxy-N-phenylmethoxyanilino)-4-methylpentanoyl]oxyphosphinic acid
CID 88548153
phosphono 3-phenylpropanoate
CID 57243225
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086

Frequently Asked Questions

What is the IUPAC name of chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid?
The IUPAC name of chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid (CID 20598733) is chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid.
What is the SMILES notation for chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid?
The canonical SMILES for chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid is C[C@H](NOCCc1ccccc1)C(=O)OP(=O)(O)Cl.
What is the InChIKey of chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid?
The InChIKey is YBHNTRDCWWXVTE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClNO5P/c1-9(11(14)18-19(12,15)16)13-17-8-7-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid?
chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid has a molecular weight of 307.67 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid is sourced from PubChem (CID 20598733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).