[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate

C20H19ClNO4P — CID 91435902

IUPAC[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
SMILESC[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)c1cccc2ccccc12
InChIInChI=1S/C20H19ClNO4P/c1-15(22-25-14-16-8-3-2-4-9-16)20(23)26-27(21,24)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,22H,14H2,1H3/t15-,27?/m0/s1
InChIKeyJKJXHLCGITVFAD-JCHGGWTISA-N
MW403.80 g/mol
LogP4.55
Rot. Bonds7

About [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate

[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate (PubChem CID 91435902) has the molecular formula C20H19ClNO4P and a molecular weight of 403.80 g/mol. Its IUPAC name is [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate.

Molecular Properties

Compound Name[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
PubChem CID91435902
Molecular FormulaC20H19ClNO4P
Molecular Weight403.80 g/mol
Exact Mass403.07
IUPAC Name[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate
SMILESC[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)c1cccc2ccccc12
InChIInChI=1S/C20H19ClNO4P/c1-15(22-25-14-16-8-3-2-4-9-16)20(23)26-27(21,24)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,22H,14H2,1H3/t15-,27?/m0/s1
InChIKeyJKJXHLCGITVFAD-JCHGGWTISA-N
XLogP4.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
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-[(2R)-2-(phenylmethoxyamino)propanoyl]oxyphosphinic acid
CID 87646166
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
chloro-[(2S)-2-(2-phenylethoxyamino)propanoyl]oxyphosphinic acid
CID 20598733
(2S)-1-dichlorophosphoryl-3-methyl-2-(phenylmethoxyamino)butan-1-one
CID 141239540
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
[chloro(naphthalen-1-yloxy)phosphoryl] (2S)-2-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 87292222
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
benzyl (3R)-3-naphthalen-1-ylbutanoate
CID 170621952
chloro-[(2S)-2-[[4-(2,3,4-trifluorophenyl)phenyl]methoxyamino]propanoyl]oxyphosphinic acid
CID 87294431
3-methyl-4-oxo-2-(phenylmethoxyamino)butanoic acid
CID 174388539
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962

Frequently Asked Questions

What is the IUPAC name of [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate?
The IUPAC name of [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate (CID 91435902) is [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate.
What is the SMILES notation for [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate?
The canonical SMILES for [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate is C[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)c1cccc2ccccc12.
What is the InChIKey of [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate?
The InChIKey is JKJXHLCGITVFAD-JCHGGWTISA-N. The full InChI is InChI=1S/C20H19ClNO4P/c1-15(22-25-14-16-8-3-2-4-9-16)20(23)26-27(21,24)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,22H,14H2,1H3/t15-,27?/m0/s1.
What are the key properties of [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate?
[chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate has a molecular weight of 403.80 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(naphthalen-1-yl)phosphoryl] (2S)-2-(phenylmethoxyamino)propanoate is sourced from PubChem (CID 91435902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).