[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate

C10H20NO3PS — CID 134373212

IUPAC[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNCCSPC
InChIInChI=1S/C10H20NO3PS/c1-8(2)10(13)14-7-9(12)6-11-4-5-16-15-3/h9,11-12,15H,1,4-7H2,2-3H3
InChIKeyVWCFACWKSMJAGE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.01
Rot. Bonds9

About [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate

[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate (PubChem CID 134373212) has the molecular formula C10H20NO3PS and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate
PubChem CID134373212
Molecular FormulaC10H20NO3PS
Molecular Weight265.31 g/mol
Exact Mass265.09
IUPAC Name[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNCCSPC
InChIInChI=1S/C10H20NO3PS/c1-8(2)10(13)14-7-9(12)6-11-4-5-16-15-3/h9,11-12,15H,1,4-7H2,2-3H3
InChIKeyVWCFACWKSMJAGE-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[(E)-2-hydroxy-12-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]dodec-8-enyl] 2-methylprop-2-enoate
CID 159679404
2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 163863615
[amino-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]sulfanylmethylidene]azanium
CID 20727766
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
[2-hydroxy-3-(2-methoxycarbonylhydrazinyl)propyl] 2-methylprop-2-enoate
CID 139935856
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
triethyl-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]azanium chloride
CID 18541546
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate (CID 134373212) is [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CNCCSPC.
What is the InChIKey of [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate?
The InChIKey is VWCFACWKSMJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3PS/c1-8(2)10(13)14-7-9(12)6-11-4-5-16-15-3/h9,11-12,15H,1,4-7H2,2-3H3.
What are the key properties of [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134373212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).