2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide

C10H18N2O5 — CID 162706911

IUPAC2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide
SMILESNC(=O)CC(O[C@H]1CCCC(CO)O1)C(N)=O
InChIInChI=1S/C10H18N2O5/c11-8(14)4-7(10(12)15)17-9-3-1-2-6(5-13)16-9/h6-7,9,13H,1-5H2,(H2,11,14)(H2,12,15)/t6?,7?,9-/m0/s1
InChIKeyZBDZDFFTHOXCSP-IEIXJENWSA-N
MW246.26 g/mol
LogP-1.38
Rot. Bonds6

About 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide

2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide (PubChem CID 162706911) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide.

Molecular Properties

Compound Name2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide
PubChem CID162706911
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide
SMILESNC(=O)CC(O[C@H]1CCCC(CO)O1)C(N)=O
InChIInChI=1S/C10H18N2O5/c11-8(14)4-7(10(12)15)17-9-3-1-2-6(5-13)16-9/h6-7,9,13H,1-5H2,(H2,11,14)(H2,12,15)/t6?,7?,9-/m0/s1
InChIKeyZBDZDFFTHOXCSP-IEIXJENWSA-N
XLogP-1.38
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide 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 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide?
The IUPAC name of 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide (CID 162706911) is 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide.
What is the SMILES notation for 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide?
The canonical SMILES for 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide is NC(=O)CC(O[C@H]1CCCC(CO)O1)C(N)=O.
What is the InChIKey of 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide?
The InChIKey is ZBDZDFFTHOXCSP-IEIXJENWSA-N. The full InChI is InChI=1S/C10H18N2O5/c11-8(14)4-7(10(12)15)17-9-3-1-2-6(5-13)16-9/h6-7,9,13H,1-5H2,(H2,11,14)(H2,12,15)/t6?,7?,9-/m0/s1.
What are the key properties of 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide?
2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide has a molecular weight of 246.26 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-(hydroxymethyl)oxan-2-yl]oxybutanediamide is sourced from PubChem (CID 162706911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).