3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol

C9H21NO3 — CID 175063250

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol
SMILESCC(C)(C)ONC(CO)C(C)(C)O
InChIInChI=1S/C9H21NO3/c1-8(2,3)13-10-7(6-11)9(4,5)12/h7,10-12H,6H2,1-5H3
InChIKeyVIWXYUINMCQNAQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.44
Rot. Bonds4

About 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol

3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol (PubChem CID 175063250) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol
PubChem CID175063250
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol
SMILESCC(C)(C)ONC(CO)C(C)(C)O
InChIInChI=1S/C9H21NO3/c1-8(2,3)13-10-7(6-11)9(4,5)12/h7,10-12H,6H2,1-5H3
InChIKeyVIWXYUINMCQNAQ-UHFFFAOYSA-N
XLogP0.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 82720828
2-(hydroxyamino)-3,3-dimethylbutan-1-ol
CID 74975814
5-hydroxy-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
CID 19708159
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
CID 166809211
2-[(2-methylpropan-2-yl)oxyamino]ethanol
CID 82725189
3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
CID 61324367
tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
CID 86601015
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
CID 54446615
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol (CID 175063250) is 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol is CC(C)(C)ONC(CO)C(C)(C)O.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol?
The InChIKey is VIWXYUINMCQNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(2,3)13-10-7(6-11)9(4,5)12/h7,10-12H,6H2,1-5H3.
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol?
3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol has a molecular weight of 191.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol is sourced from PubChem (CID 175063250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).