(2S)-2-aminobutane-1,4-diol;hydrochloride

C4H12ClNO2 — CID 91654406

IUPAC(2S)-2-aminobutane-1,4-diol;hydrochloride
SMILESCl.N[C@H](CO)CCO
InChIInChI=1S/C4H11NO2.ClH/c5-4(3-7)1-2-6;/h4,6-7H,1-3,5H2;1H/t4-;/m0./s1
InChIKeyMDAFQSSEKNVPOI-WCCKRBBISA-N
MW141.60 g/mol
LogP-0.89
Rot. Bonds3

About (2S)-2-aminobutane-1,4-diol;hydrochloride

(2S)-2-aminobutane-1,4-diol;hydrochloride (PubChem CID 91654406) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is (2S)-2-aminobutane-1,4-diol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminobutane-1,4-diol;hydrochloride
PubChem CID91654406
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Name(2S)-2-aminobutane-1,4-diol;hydrochloride
SMILESCl.N[C@H](CO)CCO
InChIInChI=1S/C4H11NO2.ClH/c5-4(3-7)1-2-6;/h4,6-7H,1-3,5H2;1H/t4-;/m0./s1
InChIKeyMDAFQSSEKNVPOI-WCCKRBBISA-N
XLogP-0.89
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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 (2S)-2-aminobutane-1,4-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 (2S)-2-aminobutane-1,4-diol;hydrochloride?
The IUPAC name of (2S)-2-aminobutane-1,4-diol;hydrochloride (CID 91654406) is (2S)-2-aminobutane-1,4-diol;hydrochloride.
What is the SMILES notation for (2S)-2-aminobutane-1,4-diol;hydrochloride?
The canonical SMILES for (2S)-2-aminobutane-1,4-diol;hydrochloride is Cl.N[C@H](CO)CCO.
What is the InChIKey of (2S)-2-aminobutane-1,4-diol;hydrochloride?
The InChIKey is MDAFQSSEKNVPOI-WCCKRBBISA-N. The full InChI is InChI=1S/C4H11NO2.ClH/c5-4(3-7)1-2-6;/h4,6-7H,1-3,5H2;1H/t4-;/m0./s1.
What are the key properties of (2S)-2-aminobutane-1,4-diol;hydrochloride?
(2S)-2-aminobutane-1,4-diol;hydrochloride has a molecular weight of 141.60 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutane-1,4-diol;hydrochloride is sourced from PubChem (CID 91654406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).