3-amino-2-methylpropane-1,1,1-triol

C4H11NO3 — CID 18979369

IUPAC3-amino-2-methylpropane-1,1,1-triol
SMILESCC(CN)C(O)(O)O
InChIInChI=1S/C4H11NO3/c1-3(2-5)4(6,7)8/h3,6-8H,2,5H2,1H3
InChIKeyZSJREGLUESMJBH-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.79
Rot. Bonds2

About 3-amino-2-methylpropane-1,1,1-triol

3-amino-2-methylpropane-1,1,1-triol (PubChem CID 18979369) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-amino-2-methylpropane-1,1,1-triol.

Molecular Properties

Compound Name3-amino-2-methylpropane-1,1,1-triol
PubChem CID18979369
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name3-amino-2-methylpropane-1,1,1-triol
SMILESCC(CN)C(O)(O)O
InChIInChI=1S/C4H11NO3/c1-3(2-5)4(6,7)8/h3,6-8H,2,5H2,1H3
InChIKeyZSJREGLUESMJBH-UHFFFAOYSA-N
XLogP-1.79
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.79
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

1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
CID 165443184
4-amino-1-methoxy-2,3-dimethylbutan-2-ol
CID 79136033
aminomethyl(trimethyl)phosphanium;carbanide
CID 159656059
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
CID 79124870
(4S)-5-amino-2,4-dimethylpentan-2-ol
CID 97010229
5-amino-2,4-dimethylpentan-2-ol
CID 83681746
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
CID 19706253
2,3-dimethylpentane-1,3-diamine
CID 141278294

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpropane-1,1,1-triol?
The IUPAC name of 3-amino-2-methylpropane-1,1,1-triol (CID 18979369) is 3-amino-2-methylpropane-1,1,1-triol.
What is the SMILES notation for 3-amino-2-methylpropane-1,1,1-triol?
The canonical SMILES for 3-amino-2-methylpropane-1,1,1-triol is CC(CN)C(O)(O)O.
What is the InChIKey of 3-amino-2-methylpropane-1,1,1-triol?
The InChIKey is ZSJREGLUESMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3(2-5)4(6,7)8/h3,6-8H,2,5H2,1H3.
What are the key properties of 3-amino-2-methylpropane-1,1,1-triol?
3-amino-2-methylpropane-1,1,1-triol has a molecular weight of 121.14 g/mol, XLogP of -1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropane-1,1,1-triol is sourced from PubChem (CID 18979369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).