(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride

C9H18ClNO3 — CID 66645499

IUPAC(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride
SMILESCCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-3-6-4-8(7(10)5-11)13-9(6)12;/h6-8,11H,2-5,10H2,1H3;1H/t6-,7+,8+;/m1./s1
InChIKeySMGBJAXSWFFQLG-MWDCIYOWSA-N
MW223.70 g/mol
LogP0.46
Rot. Bonds4

About (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride

(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride (PubChem CID 66645499) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride
PubChem CID66645499
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride
SMILESCCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-3-6-4-8(7(10)5-11)13-9(6)12;/h6-8,11H,2-5,10H2,1H3;1H/t6-,7+,8+;/m1./s1
InChIKeySMGBJAXSWFFQLG-MWDCIYOWSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;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 (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride (CID 66645499) is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride is CCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl.
What is the InChIKey of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride?
The InChIKey is SMGBJAXSWFFQLG-MWDCIYOWSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-2-3-6-4-8(7(10)5-11)13-9(6)12;/h6-8,11H,2-5,10H2,1H3;1H/t6-,7+,8+;/m1./s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride?
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one;hydrochloride is sourced from PubChem (CID 66645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).