(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid

C8H18NO6P — CID 123141914

IUPAC(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid
SMILESCCOP(=O)(CC(O)CNC(=O)O)OCC
InChIInChI=1S/C8H18NO6P/c1-3-14-16(13,15-4-2)6-7(10)5-9-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMNKMHCMFUOIARP-UHFFFAOYSA-N
MW255.21 g/mol
LogP0.88
Rot. Bonds8

About (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid

(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid (PubChem CID 123141914) has the molecular formula C8H18NO6P and a molecular weight of 255.21 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid
PubChem CID123141914
Molecular FormulaC8H18NO6P
Molecular Weight255.21 g/mol
Exact Mass255.09
IUPAC Name(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid
SMILESCCOP(=O)(CC(O)CNC(=O)O)OCC
InChIInChI=1S/C8H18NO6P/c1-3-14-16(13,15-4-2)6-7(10)5-9-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyMNKMHCMFUOIARP-UHFFFAOYSA-N
XLogP0.88
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-Diethoxyphosphorylethylamino)-2-hydroxypropyl]carbamic acid
CID 19738181
2-[Bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylcarbamic acid
CID 22339119
methyl N-(2-dimethylphosphoryloxybutyl)carbamate
CID 88542560
[(2R)-2-[hydroxy(methyl)phosphoryl]oxy-3-sulfanyloxypropyl]carbamic acid
CID 88907165
[3-(Butoxycarbonylamino)-2-hydroxypropyl]phosphonous acid
CID 117969440
tert-butyl N-(1-dimethoxyphosphoryl-2-methoxypropyl)carbamate
CID 156571046

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid?
The IUPAC name of (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid (CID 123141914) is (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid.
What is the SMILES notation for (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid?
The canonical SMILES for (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid is CCOP(=O)(CC(O)CNC(=O)O)OCC.
What is the InChIKey of (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid?
The InChIKey is MNKMHCMFUOIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO6P/c1-3-14-16(13,15-4-2)6-7(10)5-9-8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid?
(3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid has a molecular weight of 255.21 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethoxyphosphoryl-2-hydroxypropyl)carbamic acid is sourced from PubChem (CID 123141914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).