1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol

C6H16NO4P — CID 175019166

IUPAC1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol
SMILESCOP(=O)(OC)C(N)C(C)(C)O
InChIInChI=1S/C6H16NO4P/c1-6(2,8)5(7)12(9,10-3)11-4/h5,8H,7H2,1-4H3
InChIKeyNYVIEZMMWKTWJF-UHFFFAOYSA-N
MW197.17 g/mol
LogP0.53
Rot. Bonds4

About 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol

1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol (PubChem CID 175019166) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol
PubChem CID175019166
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol
SMILESCOP(=O)(OC)C(N)C(C)(C)O
InChIInChI=1S/C6H16NO4P/c1-6(2,8)5(7)12(9,10-3)11-4/h5,8H,7H2,1-4H3
InChIKeyNYVIEZMMWKTWJF-UHFFFAOYSA-N
XLogP0.53
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160
CID 59071497
CID 59071497
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
(E)-1-dimethoxyphosphorylbut-2-en-1-ol
CID 5470785
(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
CID 88908613
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-dimethoxyphosphorylacetate
CID 10959337
N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 20751673
4-amino-3-dimethoxyphosphorylhexan-2-one
CID 176899353

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol (CID 175019166) is 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol is COP(=O)(OC)C(N)C(C)(C)O.
What is the InChIKey of 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol?
The InChIKey is NYVIEZMMWKTWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P/c1-6(2,8)5(7)12(9,10-3)11-4/h5,8H,7H2,1-4H3.
What are the key properties of 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol?
1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol has a molecular weight of 197.17 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-dimethoxyphosphoryl-2-methylpropan-2-ol is sourced from PubChem (CID 175019166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).