(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid

C5H14NO4P — CID 87319148

IUPAC(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
SMILESCC(C)(CCO)OP(N)(=O)O
InChIInChI=1S/C5H14NO4P/c1-5(2,3-4-7)10-11(6,8)9/h7H,3-4H2,1-2H3,(H3,6,8,9)
InChIKeyVKBMWHUVVRNRJX-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.22
Rot. Bonds4

About (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid

(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid (PubChem CID 87319148) has the molecular formula C5H14NO4P and a molecular weight of 183.14 g/mol. Its IUPAC name is (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid.

Molecular Properties

Compound Name(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
PubChem CID87319148
Molecular FormulaC5H14NO4P
Molecular Weight183.14 g/mol
Exact Mass183.07
IUPAC Name(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
SMILESCC(C)(CCO)OP(N)(=O)O
InChIInChI=1S/C5H14NO4P/c1-5(2,3-4-7)10-11(6,8)9/h7H,3-4H2,1-2H3,(H3,6,8,9)
InChIKeyVKBMWHUVVRNRJX-UHFFFAOYSA-N
XLogP0.22
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid
CID 23431444
[2-methyl-4-[3-(3-methylbutylsulfinyl)propylsulfinyl]butan-2-yl]oxyphosphonamidic acid
CID 90872779
(3-amino-1,5-dihydroxypentan-3-yl) diethyl phosphate
CID 88661146
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
aminophosphonic acid;ethane-1,2-diol
CID 121316175
(5,8-dihydroxy-2,11-dimethyl-11-phosphonooxydodecan-2-yl) dihydrogen phosphate
CID 59659544
bis(2-methylnonan-2-yl) hydrogen phosphate
CID 22497522
[6-(10-hydroxy-5,5-dimethyldecoxy)-2-methylhexan-2-yl] dihydrogen phosphate
CID 23390820
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
tris(5-hydroxy-3,3-dimethylpentyl) phosphate
CID 139533089
3-amino-3-methylbutan-1-ol
CID 641000

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid?
The IUPAC name of (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid (CID 87319148) is (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid.
What is the SMILES notation for (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid?
The canonical SMILES for (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid is CC(C)(CCO)OP(N)(=O)O.
What is the InChIKey of (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid?
The InChIKey is VKBMWHUVVRNRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO4P/c1-5(2,3-4-7)10-11(6,8)9/h7H,3-4H2,1-2H3,(H3,6,8,9).
What are the key properties of (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid?
(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid has a molecular weight of 183.14 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid is sourced from PubChem (CID 87319148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).