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

C4H12ClNO2 — CID 122236265

IUPAC(2R,3R)-2-aminobutane-1,3-diol;hydrochloride
SMILESC[C@@H](O)[C@H](N)CO.Cl
InChIInChI=1S/C4H11NO2.ClH/c1-3(7)4(5)2-6;/h3-4,6-7H,2,5H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyREMZWDMWHINGKS-VKKIDBQXSA-N
MW141.60 g/mol
LogP-0.89
Rot. Bonds2

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

(2R,3R)-2-aminobutane-1,3-diol;hydrochloride (PubChem CID 122236265) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is (2R,3R)-2-aminobutane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-aminobutane-1,3-diol;hydrochloride
PubChem CID122236265
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Name(2R,3R)-2-aminobutane-1,3-diol;hydrochloride
SMILESC[C@@H](O)[C@H](N)CO.Cl
InChIInChI=1S/C4H11NO2.ClH/c1-3(7)4(5)2-6;/h3-4,6-7H,2,5H2,1H3;1H/t3-,4-;/m1./s1
InChIKeyREMZWDMWHINGKS-VKKIDBQXSA-N
XLogP-0.89
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-aminobutane-1,3-diol;hydrochloride 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 (2R,3R)-2-aminobutane-1,3-diol;hydrochloride?
The IUPAC name of (2R,3R)-2-aminobutane-1,3-diol;hydrochloride (CID 122236265) is (2R,3R)-2-aminobutane-1,3-diol;hydrochloride.
What is the SMILES notation for (2R,3R)-2-aminobutane-1,3-diol;hydrochloride?
The canonical SMILES for (2R,3R)-2-aminobutane-1,3-diol;hydrochloride is C[C@@H](O)[C@H](N)CO.Cl.
What is the InChIKey of (2R,3R)-2-aminobutane-1,3-diol;hydrochloride?
The InChIKey is REMZWDMWHINGKS-VKKIDBQXSA-N. The full InChI is InChI=1S/C4H11NO2.ClH/c1-3(7)4(5)2-6;/h3-4,6-7H,2,5H2,1H3;1H/t3-,4-;/m1./s1.
What are the key properties of (2R,3R)-2-aminobutane-1,3-diol;hydrochloride?
(2R,3R)-2-aminobutane-1,3-diol;hydrochloride has a molecular weight of 141.60 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-aminobutane-1,3-diol;hydrochloride is sourced from PubChem (CID 122236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).