(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one

C6H12N2O2 — CID 163653443

IUPAC(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one
SMILESC[C@@H](N)[C@@H]1C[C@@H](N)C(=O)O1
InChIInChI=1S/C6H12N2O2/c1-3(7)5-2-4(8)6(9)10-5/h3-5H,2,7-8H2,1H3/t3-,4-,5+/m1/s1
InChIKeyIOEHEDJDKPJTBL-WDCZJNDASA-N
MW144.17 g/mol
LogP-1.02
Rot. Bonds1

About (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one

(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one (PubChem CID 163653443) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one
PubChem CID163653443
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one
SMILESC[C@@H](N)[C@@H]1C[C@@H](N)C(=O)O1
InChIInChI=1S/C6H12N2O2/c1-3(7)5-2-4(8)6(9)10-5/h3-5H,2,7-8H2,1H3/t3-,4-,5+/m1/s1
InChIKeyIOEHEDJDKPJTBL-WDCZJNDASA-N
XLogP-1.02
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one 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)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one?
The IUPAC name of (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one (CID 163653443) is (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one.
What is the SMILES notation for (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one?
The canonical SMILES for (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one is C[C@@H](N)[C@@H]1C[C@@H](N)C(=O)O1.
What is the InChIKey of (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one?
The InChIKey is IOEHEDJDKPJTBL-WDCZJNDASA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3(7)5-2-4(8)6(9)10-5/h3-5H,2,7-8H2,1H3/t3-,4-,5+/m1/s1.
What are the key properties of (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one?
(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one is sourced from PubChem (CID 163653443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).