(3S)-3-methylmorpholine-2,5-dione

C5H7NO3 — CID 45086562

IUPAC(3S)-3-methylmorpholine-2,5-dione
SMILESC[C@@H]1NC(=O)COC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyKNMQEWSKCAMAIM-VKHMYHEASA-N
MW129.11 g/mol
LogP-0.95
Rot. Bonds

About (3S)-3-methylmorpholine-2,5-dione

(3S)-3-methylmorpholine-2,5-dione (PubChem CID 45086562) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (3S)-3-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methylmorpholine-2,5-dione
PubChem CID45086562
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(3S)-3-methylmorpholine-2,5-dione
SMILESC[C@@H]1NC(=O)COC1=O
InChIInChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyKNMQEWSKCAMAIM-VKHMYHEASA-N
XLogP-0.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methylmorpholine-2,5-dione 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 (3S)-3-methylmorpholine-2,5-dione?
The IUPAC name of (3S)-3-methylmorpholine-2,5-dione (CID 45086562) is (3S)-3-methylmorpholine-2,5-dione.
What is the SMILES notation for (3S)-3-methylmorpholine-2,5-dione?
The canonical SMILES for (3S)-3-methylmorpholine-2,5-dione is C[C@@H]1NC(=O)COC1=O.
What is the InChIKey of (3S)-3-methylmorpholine-2,5-dione?
The InChIKey is KNMQEWSKCAMAIM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (3S)-3-methylmorpholine-2,5-dione?
(3S)-3-methylmorpholine-2,5-dione has a molecular weight of 129.11 g/mol, XLogP of -0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylmorpholine-2,5-dione is sourced from PubChem (CID 45086562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).