2-(tert-butylamino)propane-1,2,3-triol

C7H17NO3 — CID 166024748

IUPAC2-(tert-butylamino)propane-1,2,3-triol
SMILESCC(C)(C)NC(O)(CO)CO
InChIInChI=1S/C7H17NO3/c1-6(2,3)8-7(11,4-9)5-10/h8-11H,4-5H2,1-3H3
InChIKeyUDOZIOSSWWXAJV-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.95
Rot. Bonds3

About 2-(tert-butylamino)propane-1,2,3-triol

2-(tert-butylamino)propane-1,2,3-triol (PubChem CID 166024748) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(tert-butylamino)propane-1,2,3-triol.

Molecular Properties

Compound Name2-(tert-butylamino)propane-1,2,3-triol
PubChem CID166024748
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(tert-butylamino)propane-1,2,3-triol
SMILESCC(C)(C)NC(O)(CO)CO
InChIInChI=1S/C7H17NO3/c1-6(2,3)8-7(11,4-9)5-10/h8-11H,4-5H2,1-3H3
InChIKeyUDOZIOSSWWXAJV-UHFFFAOYSA-N
XLogP-0.95
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-2-methylpropane-1,3-diol
CID 58959508
2-(tert-butylamino)-2-(hydroxymethyl)butane-1,4-diol
CID 138715613
2-[[2-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 58721712
2,4,4-tris(methylamino)pentane-1,2-diol
CID 174364011
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714
2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728
2-silylpropane-1,2-diol
CID 173442729
2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol
CID 175345676
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-[2-(hydroxyamino)ethyl]-2-methylpropane-1,3-diol
CID 54248160
ethane-1,1,1,2-tetrol
CID 22259953

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)propane-1,2,3-triol?
The IUPAC name of 2-(tert-butylamino)propane-1,2,3-triol (CID 166024748) is 2-(tert-butylamino)propane-1,2,3-triol.
What is the SMILES notation for 2-(tert-butylamino)propane-1,2,3-triol?
The canonical SMILES for 2-(tert-butylamino)propane-1,2,3-triol is CC(C)(C)NC(O)(CO)CO.
What is the InChIKey of 2-(tert-butylamino)propane-1,2,3-triol?
The InChIKey is UDOZIOSSWWXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(2,3)8-7(11,4-9)5-10/h8-11H,4-5H2,1-3H3.
What are the key properties of 2-(tert-butylamino)propane-1,2,3-triol?
2-(tert-butylamino)propane-1,2,3-triol has a molecular weight of 163.22 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)propane-1,2,3-triol is sourced from PubChem (CID 166024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).