(2R,3S)-2-amino-2-methylbutane-1,3-diol

C5H13NO2 — CID 55288552

IUPAC(2R,3S)-2-amino-2-methylbutane-1,3-diol
SMILESC[C@H](O)[C@](C)(N)CO
InChIInChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3/t4-,5+/m0/s1
InChIKeyXMJVTNKYRSVJAO-CRCLSJGQSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds2

About (2R,3S)-2-amino-2-methylbutane-1,3-diol

(2R,3S)-2-amino-2-methylbutane-1,3-diol (PubChem CID 55288552) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2R,3S)-2-amino-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-amino-2-methylbutane-1,3-diol
PubChem CID55288552
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2R,3S)-2-amino-2-methylbutane-1,3-diol
SMILESC[C@H](O)[C@](C)(N)CO
InChIInChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3/t4-,5+/m0/s1
InChIKeyXMJVTNKYRSVJAO-CRCLSJGQSA-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 (2R,3S)-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

Related Compounds

CID 6503
CID 6503
CID 1531
CID 1531
CID 8282
CID 8282
CID 3777159
CID 3777159
CID 16212934
CID 16212934
CID 10154017
CID 10154017
CID 13319222
CID 13319222
CID 13319223
CID 13319223
CID 66935111
CID 66935111
CID 163321395
CID 163321395
CID 165951063
CID 165951063
CID 169552794
CID 169552794

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-2-methylbutane-1,3-diol?
The IUPAC name of (2R,3S)-2-amino-2-methylbutane-1,3-diol (CID 55288552) is (2R,3S)-2-amino-2-methylbutane-1,3-diol.
What is the SMILES notation for (2R,3S)-2-amino-2-methylbutane-1,3-diol?
The canonical SMILES for (2R,3S)-2-amino-2-methylbutane-1,3-diol is C[C@H](O)[C@](C)(N)CO.
What is the InChIKey of (2R,3S)-2-amino-2-methylbutane-1,3-diol?
The InChIKey is XMJVTNKYRSVJAO-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(8)5(2,6)3-7/h4,7-8H,3,6H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-2-amino-2-methylbutane-1,3-diol?
(2R,3S)-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 (2R,3S)-2-amino-2-methylbutane-1,3-diol is sourced from PubChem (CID 55288552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).