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

C5H13NO2 — CID 14762960

IUPAC(2R,3R)-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-/m1/s1
InChIKeyXMJVTNKYRSVJAO-RFZPGFLSSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds2

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

(2R,3R)-2-amino-2-methylbutane-1,3-diol (PubChem CID 14762960) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2R,3R)-2-amino-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-amino-2-methylbutane-1,3-diol
PubChem CID14762960
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2R,3R)-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-/m1/s1
InChIKeyXMJVTNKYRSVJAO-RFZPGFLSSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-2-methylbutane-1,3-diol?
The IUPAC name of (2R,3R)-2-amino-2-methylbutane-1,3-diol (CID 14762960) is (2R,3R)-2-amino-2-methylbutane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-amino-2-methylbutane-1,3-diol?
The canonical SMILES for (2R,3R)-2-amino-2-methylbutane-1,3-diol is C[C@@H](O)[C@](C)(N)CO.
What is the InChIKey of (2R,3R)-2-amino-2-methylbutane-1,3-diol?
The InChIKey is XMJVTNKYRSVJAO-RFZPGFLSSA-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-/m1/s1.
What are the key properties of (2R,3R)-2-amino-2-methylbutane-1,3-diol?
(2R,3R)-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,3R)-2-amino-2-methylbutane-1,3-diol is sourced from PubChem (CID 14762960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).