[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate

C16H17ClNO5P — CID 20598719

IUPAC[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate
SMILESCON[C@@H](Cc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C16H17ClNO5P/c1-21-18-15(12-13-8-4-2-5-9-13)16(19)23-24(17,20)22-14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,24?/m0/s1
InChIKeySVPMTJUHITUNDV-FZADBTJQSA-N
MW369.74 g/mol
LogP3.72
Rot. Bonds8

About [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate

[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate (PubChem CID 20598719) has the molecular formula C16H17ClNO5P and a molecular weight of 369.74 g/mol. Its IUPAC name is [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate
PubChem CID20598719
Molecular FormulaC16H17ClNO5P
Molecular Weight369.74 g/mol
Exact Mass369.05
IUPAC Name[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate
SMILESCON[C@@H](Cc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C16H17ClNO5P/c1-21-18-15(12-13-8-4-2-5-9-13)16(19)23-24(17,20)22-14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,24?/m0/s1
InChIKeySVPMTJUHITUNDV-FZADBTJQSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-methylbutanoate
CID 20598722
2-ethylbutyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 171611728
[amino(phenoxy)phosphoryl] (2S)-3-(1H-indol-3-yl)-2-(methoxyamino)propanoate
CID 90761750
[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
CID 20598686
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate
CID 58475101
octadecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 168741359
tetradecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 168741409
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
ethane;propan-2-yl (2S)-2-[[methylamino(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 169219377
dimethyl (2R)-2-[[chloro(phenoxy)phosphoryl]amino]butanedioate
CID 11994048
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145

Frequently Asked Questions

What is the IUPAC name of [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate?
The IUPAC name of [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate (CID 20598719) is [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate.
What is the SMILES notation for [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate?
The canonical SMILES for [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate is CON[C@@H](Cc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccccc1.
What is the InChIKey of [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate?
The InChIKey is SVPMTJUHITUNDV-FZADBTJQSA-N. The full InChI is InChI=1S/C16H17ClNO5P/c1-21-18-15(12-13-8-4-2-5-9-13)16(19)23-24(17,20)22-14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,24?/m0/s1.
What are the key properties of [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate?
[chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate has a molecular weight of 369.74 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenoxy)phosphoryl] (2S)-2-(methoxyamino)-3-phenylpropanoate is sourced from PubChem (CID 20598719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).