(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one

C10H18N2O5 — CID 10610413

IUPAC(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one
SMILESC[C@H]1NCCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O
InChIInChI=1S/C10H18N2O5/c1-5-9(16)12(3-2-11-5)10-8(15)7(14)6(4-13)17-10/h5-8,10-11,13-15H,2-4H2,1H3/t5-,6-,7-,8-,10-/m1/s1
InChIKeyPFXRNEQXVKGAQJ-VRRGKTLJSA-N
MW246.26 g/mol
LogP-2.75
Rot. Bonds2

About (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one

(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one (PubChem CID 10610413) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one
PubChem CID10610413
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one
SMILESC[C@H]1NCCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O
InChIInChI=1S/C10H18N2O5/c1-5-9(16)12(3-2-11-5)10-8(15)7(14)6(4-13)17-10/h5-8,10-11,13-15H,2-4H2,1H3/t5-,6-,7-,8-,10-/m1/s1
InChIKeyPFXRNEQXVKGAQJ-VRRGKTLJSA-N
XLogP-2.75
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-2.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-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)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one (CID 10610413) is (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one is C[C@H]1NCCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O.
What is the InChIKey of (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one?
The InChIKey is PFXRNEQXVKGAQJ-VRRGKTLJSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5-9(16)12(3-2-11-5)10-8(15)7(14)6(4-13)17-10/h5-8,10-11,13-15H,2-4H2,1H3/t5-,6-,7-,8-,10-/m1/s1.
What are the key properties of (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one?
(3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one has a molecular weight of 246.26 g/mol, XLogP of -2.75, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpiperazin-2-one is sourced from PubChem (CID 10610413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).