methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate

C16H24NO6P — CID 67908233

IUPACmethyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate
SMILESCOC(=O)C(C)CP(=O)(CCNC(=O)OCc1ccccc1)OC
InChIInChI=1S/C16H24NO6P/c1-13(15(18)21-2)12-24(20,22-3)10-9-17-16(19)23-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19)
InChIKeySFSBCZYVQRNWLP-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.65
Rot. Bonds9

About methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate

methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate (PubChem CID 67908233) has the molecular formula C16H24NO6P and a molecular weight of 357.34 g/mol. Its IUPAC name is methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate
PubChem CID67908233
Molecular FormulaC16H24NO6P
Molecular Weight357.34 g/mol
Exact Mass357.13
IUPAC Namemethyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate
SMILESCOC(=O)C(C)CP(=O)(CCNC(=O)OCc1ccccc1)OC
InChIInChI=1S/C16H24NO6P/c1-13(15(18)21-2)12-24(20,22-3)10-9-17-16(19)23-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19)
InChIKeySFSBCZYVQRNWLP-UHFFFAOYSA-N
XLogP2.65
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-phenylbutanoate
CID 67831648
methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
CID 18675620
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11659997
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
CID 167763104
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
methyl 3-methoxy-2-[3-(phenylmethoxycarbonylamino)propylamino]propanoate
CID 70963493
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-(2-diphenoxyphosphorylethyl)carbamate
CID 59131482
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate?
The IUPAC name of methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate (CID 67908233) is methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate is COC(=O)C(C)CP(=O)(CCNC(=O)OCc1ccccc1)OC.
What is the InChIKey of methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate?
The InChIKey is SFSBCZYVQRNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO6P/c1-13(15(18)21-2)12-24(20,22-3)10-9-17-16(19)23-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19).
What are the key properties of methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate?
methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate has a molecular weight of 357.34 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate is sourced from PubChem (CID 67908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).