methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate

C20H19ClNO4P — CID 11502299

IUPACmethyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C20H19ClNO4P/c1-25-20(23)18(14-15-8-3-2-4-9-15)22-27(21,24)26-19-13-7-11-16-10-5-6-12-17(16)19/h2-13,18H,14H2,1H3,(H,22,24)/t18-,27?/m0/s1
InChIKeyHRIMGZMGBSIBIV-HSYKDVHTSA-N
MW403.80 g/mol
LogP4.94
Rot. Bonds7

About methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate

methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate (PubChem CID 11502299) has the molecular formula C20H19ClNO4P and a molecular weight of 403.80 g/mol. Its IUPAC name is methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
PubChem CID11502299
Molecular FormulaC20H19ClNO4P
Molecular Weight403.80 g/mol
Exact Mass403.07
IUPAC Namemethyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NP(=O)(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C20H19ClNO4P/c1-25-20(23)18(14-15-8-3-2-4-9-15)22-27(21,24)26-19-13-7-11-16-10-5-6-12-17(16)19/h2-13,18H,14H2,1H3,(H,22,24)/t18-,27?/m0/s1
InChIKeyHRIMGZMGBSIBIV-HSYKDVHTSA-N
XLogP4.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.80
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
dimethyl (2R)-2-[[chloro(phenoxy)phosphoryl]amino]butanedioate
CID 11994048
methyl (2R)-2-[[chloro(phenoxy)phosphoryl]amino]-3-(1H-indol-3-yl)propanoate
CID 11994047
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
2-ethylbutyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 171611728
methyl (2S)-2-[[hydroxy(methyl)phosphinothioyl]amino]-3-phenylpropanoate
CID 11778055
cyclopropylmethyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87148068
cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
CID 87147629
octadecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 168741359
tetradecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]-3-phenylpropanoate
CID 168741409
[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-methylbutanoate
CID 87147881

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate (CID 11502299) is methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NP(=O)(Cl)Oc1cccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate?
The InChIKey is HRIMGZMGBSIBIV-HSYKDVHTSA-N. The full InChI is InChI=1S/C20H19ClNO4P/c1-25-20(23)18(14-15-8-3-2-4-9-15)22-27(21,24)26-19-13-7-11-16-10-5-6-12-17(16)19/h2-13,18H,14H2,1H3,(H,22,24)/t18-,27?/m0/s1.
What are the key properties of methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate has a molecular weight of 403.80 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-3-phenylpropanoate is sourced from PubChem (CID 11502299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).