(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride

C4H12Cl2N2O2 — CID 71463685

IUPAC(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
SMILESC[C@@H](N)[C@@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C4H10N2O2.2ClH/c1-2(5)3(6)4(7)8;;/h2-3H,5-6H2,1H3,(H,7,8);2*1H/t2-,3-;;/m1../s1
InChIKeyDOZGWJGZHSTDJL-MRWDTFSLSA-N
MW191.06 g/mol
LogP-0.41
Rot. Bonds2

About (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride

(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride (PubChem CID 71463685) has the molecular formula C4H12Cl2N2O2 and a molecular weight of 191.06 g/mol. Its IUPAC name is (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
PubChem CID71463685
Molecular FormulaC4H12Cl2N2O2
Molecular Weight191.06 g/mol
Exact Mass190.03
IUPAC Name(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
SMILESC[C@@H](N)[C@@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C4H10N2O2.2ClH/c1-2(5)3(6)4(7)8;;/h2-3H,5-6H2,1H3,(H,7,8);2*1H/t2-,3-;;/m1../s1
InChIKeyDOZGWJGZHSTDJL-MRWDTFSLSA-N
XLogP-0.41
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride 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

(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride?
The IUPAC name of (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride (CID 71463685) is (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride.
What is the SMILES notation for (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride?
The canonical SMILES for (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride is C[C@@H](N)[C@@H](N)C(=O)O.Cl.Cl.
What is the InChIKey of (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride?
The InChIKey is DOZGWJGZHSTDJL-MRWDTFSLSA-N. The full InChI is InChI=1S/C4H10N2O2.2ClH/c1-2(5)3(6)4(7)8;;/h2-3H,5-6H2,1H3,(H,7,8);2*1H/t2-,3-;;/m1../s1.
What are the key properties of (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride?
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride has a molecular weight of 191.06 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diaminobutanoic acid;dihydrochloride is sourced from PubChem (CID 71463685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).