(2R,3R)-3-aminobutane-1,2-diol

C4H11NO2 — CID 14325608

IUPAC(2R,3R)-3-aminobutane-1,2-diol
SMILESC[C@@H](N)[C@@H](O)CO
InChIInChI=1S/C4H11NO2/c1-3(5)4(7)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4+/m1/s1
InChIKeyLDCXMWOWMBOMSM-DMTCNVIQSA-N
MW105.14 g/mol
LogP-1.31
Rot. Bonds2

About (2R,3R)-3-aminobutane-1,2-diol

(2R,3R)-3-aminobutane-1,2-diol (PubChem CID 14325608) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is (2R,3R)-3-aminobutane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-aminobutane-1,2-diol
PubChem CID14325608
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name(2R,3R)-3-aminobutane-1,2-diol
SMILESC[C@@H](N)[C@@H](O)CO
InChIInChI=1S/C4H11NO2/c1-3(5)4(7)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4+/m1/s1
InChIKeyLDCXMWOWMBOMSM-DMTCNVIQSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminobutane-1,2-diol?
The IUPAC name of (2R,3R)-3-aminobutane-1,2-diol (CID 14325608) is (2R,3R)-3-aminobutane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-aminobutane-1,2-diol?
The canonical SMILES for (2R,3R)-3-aminobutane-1,2-diol is C[C@@H](N)[C@@H](O)CO.
What is the InChIKey of (2R,3R)-3-aminobutane-1,2-diol?
The InChIKey is LDCXMWOWMBOMSM-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H11NO2/c1-3(5)4(7)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4+/m1/s1.
What are the key properties of (2R,3R)-3-aminobutane-1,2-diol?
(2R,3R)-3-aminobutane-1,2-diol has a molecular weight of 105.14 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-aminobutane-1,2-diol is sourced from PubChem (CID 14325608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).