benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate

C26H24NO5P — CID 146653962

IUPACbenzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
SMILESC[C@H](NP(=O)(Oc1ccccc1)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
InChIInChI=1S/C26H24NO5P/c1-20(26(28)30-19-21-11-4-2-5-12-21)27-33(29,31-23-15-6-3-7-16-23)32-25-18-10-14-22-13-8-9-17-24(22)25/h2-18,20H,19H2,1H3,(H,27,29)/t20-,33?/m0/s1
InChIKeyONDINAYPDYGGMK-SQLGYAFXSA-N
MW461.45 g/mol
LogP6.13
Rot. Bonds9

About benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate

benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate (PubChem CID 146653962) has the molecular formula C26H24NO5P and a molecular weight of 461.45 g/mol. Its IUPAC name is benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
PubChem CID146653962
Molecular FormulaC26H24NO5P
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC Namebenzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
SMILESC[C@H](NP(=O)(Oc1ccccc1)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
InChIInChI=1S/C26H24NO5P/c1-20(26(28)30-19-21-11-4-2-5-12-21)27-33(29,31-23-15-6-3-7-16-23)32-25-18-10-14-22-13-8-9-17-24(22)25/h2-18,20H,19H2,1H3,(H,27,29)/t20-,33?/m0/s1
InChIKeyONDINAYPDYGGMK-SQLGYAFXSA-N
XLogP6.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-[[[4-chloro-2-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 146655073
benzyl (2S)-2-[[[2-chloro-6-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 146655074
benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(2-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[(4-chlorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 161093827
benzyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 129234873
benzyl (2S)-2-[[iodo(phenoxy)phosphoryl]amino]propanoate
CID 145274356
benzyl (2S)-2-[[[2-bromo-6-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate;benzyl (2S)-2-[[[4-bromo-2-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 160531392
(2S)-2-[[naphthalen-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoic acid
CID 138491690
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
benzyl (2S)-2-[[[(2R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 147783238
3-chloropropyl 2-[[(2-methyl-3-oxobutoxy)-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 123688107
benzyl (2S)-2-[[[(1S)-2,2-difluoro-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 170689050
benzyl (2S)-2-[[[(1S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 66804405

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate (CID 146653962) is benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate is C[C@H](NP(=O)(Oc1ccccc1)Oc1cccc2ccccc12)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is ONDINAYPDYGGMK-SQLGYAFXSA-N. The full InChI is InChI=1S/C26H24NO5P/c1-20(26(28)30-19-21-11-4-2-5-12-21)27-33(29,31-23-15-6-3-7-16-23)32-25-18-10-14-22-13-8-9-17-24(22)25/h2-18,20H,19H2,1H3,(H,27,29)/t20-,33?/m0/s1.
What are the key properties of benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate?
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 461.45 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 146653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).