[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid

C10H23N2O6P — CID 19738181

IUPAC[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid
SMILESCCOP(=O)(CCNCC(O)CNC(=O)O)OCC
InChIInChI=1S/C10H23N2O6P/c1-3-17-19(16,18-4-2)6-5-11-7-9(13)8-12-10(14)15/h9,11-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGEVIHYSFNVOTOW-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.47
Rot. Bonds11

About [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid

[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid (PubChem CID 19738181) has the molecular formula C10H23N2O6P and a molecular weight of 298.28 g/mol. Its IUPAC name is [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid
PubChem CID19738181
Molecular FormulaC10H23N2O6P
Molecular Weight298.28 g/mol
Exact Mass298.13
IUPAC Name[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid
SMILESCCOP(=O)(CCNCC(O)CNC(=O)O)OCC
InChIInChI=1S/C10H23N2O6P/c1-3-17-19(16,18-4-2)6-5-11-7-9(13)8-12-10(14)15/h9,11-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyGEVIHYSFNVOTOW-UHFFFAOYSA-N
XLogP0.47
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxybutyl]acetamide
CID 125471611
tert-butyl N-(3-dimethoxyphosphoryl-2-hydroxypropyl)carbamate
CID 134946398
N-[(1S,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide
CID 134947015
N-[(1R,2R)-1-diethoxyphosphoryl-2-hydroxypropyl]acetamide
CID 166438604
[3-[[2-(Diethoxyphosphinyl)ethyl]amino]-2-hydroxypropyl]carbamic acid 1,1-dimethylethyl ester
CID 10713104
4-(2-Diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
3-Formamidopropyl-[2-hydroxy-3-[methyl(oxo)phosphaniumyl]oxypropyl]-dimethylazanium
CID 59524425
Butan-2-yloxy-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]ethyl]phosphinic acid
CID 87556539
Ethoxy-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]ethyl]phosphinic acid
CID 87666614
(3-Diethoxyphosphoryl-2-hydroxypropyl)carbamic acid
CID 123141914
N-[(1R,2R)-1-dimethoxyphosphoryl-2-hydroxypropyl]acetamide
CID 11831089
ethyl N-[1-bis[[(2S)-butan-2-yl]oxy]phosphoryl-1-hydroxypropan-2-yl]carbamate
CID 12030746

Frequently Asked Questions

What is the IUPAC name of [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid?
The IUPAC name of [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid (CID 19738181) is [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid is CCOP(=O)(CCNCC(O)CNC(=O)O)OCC.
What is the InChIKey of [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid?
The InChIKey is GEVIHYSFNVOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O6P/c1-3-17-19(16,18-4-2)6-5-11-7-9(13)8-12-10(14)15/h9,11-13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid?
[3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid has a molecular weight of 298.28 g/mol, XLogP of 0.47, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid is sourced from PubChem (CID 19738181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).