2-amino-2-methylbutane-1,3-diol

C5H13NO2 — CID 14762959

IUPAC2-amino-2-methylbutane-1,3-diol
SMILESCC(O)C(C)(N)CO
InChIInChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3
InChIKeyXMJVTNKYRSVJAO-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds2

About 2-amino-2-methylbutane-1,3-diol

2-amino-2-methylbutane-1,3-diol (PubChem CID 14762959) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-amino-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-methylbutane-1,3-diol
PubChem CID14762959
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-amino-2-methylbutane-1,3-diol
SMILESCC(O)C(C)(N)CO
InChIInChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3
InChIKeyXMJVTNKYRSVJAO-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-methylbutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylbutane-1,3-diol?
The IUPAC name of 2-amino-2-methylbutane-1,3-diol (CID 14762959) is 2-amino-2-methylbutane-1,3-diol.
What is the SMILES notation for 2-amino-2-methylbutane-1,3-diol?
The canonical SMILES for 2-amino-2-methylbutane-1,3-diol is CC(O)C(C)(N)CO.
What is the InChIKey of 2-amino-2-methylbutane-1,3-diol?
The InChIKey is XMJVTNKYRSVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3.
What are the key properties of 2-amino-2-methylbutane-1,3-diol?
2-amino-2-methylbutane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylbutane-1,3-diol is sourced from PubChem (CID 14762959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).