2-methyl-2,3-dimorpholin-4-ylbutanoic acid

C13H24N2O4 — CID 54159946

IUPAC2-methyl-2,3-dimorpholin-4-ylbutanoic acid
SMILESCC(N1CCOCC1)C(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-11(14-3-7-18-8-4-14)13(2,12(16)17)15-5-9-19-10-6-15/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyONRWDAVIPRNSHR-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.12
Rot. Bonds4

About 2-methyl-2,3-dimorpholin-4-ylbutanoic acid

2-methyl-2,3-dimorpholin-4-ylbutanoic acid (PubChem CID 54159946) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-2,3-dimorpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-2,3-dimorpholin-4-ylbutanoic acid
PubChem CID54159946
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-methyl-2,3-dimorpholin-4-ylbutanoic acid
SMILESCC(N1CCOCC1)C(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-11(14-3-7-18-8-4-14)13(2,12(16)17)15-5-9-19-10-6-15/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyONRWDAVIPRNSHR-UHFFFAOYSA-N
XLogP-0.12
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2,3-dimorpholin-4-ylbutanoic acid 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-methyl-2,3-dimorpholin-4-ylbutanoic acid?
The IUPAC name of 2-methyl-2,3-dimorpholin-4-ylbutanoic acid (CID 54159946) is 2-methyl-2,3-dimorpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-methyl-2,3-dimorpholin-4-ylbutanoic acid?
The canonical SMILES for 2-methyl-2,3-dimorpholin-4-ylbutanoic acid is CC(N1CCOCC1)C(C)(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-methyl-2,3-dimorpholin-4-ylbutanoic acid?
The InChIKey is ONRWDAVIPRNSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(14-3-7-18-8-4-14)13(2,12(16)17)15-5-9-19-10-6-15/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2,3-dimorpholin-4-ylbutanoic acid?
2-methyl-2,3-dimorpholin-4-ylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dimorpholin-4-ylbutanoic acid is sourced from PubChem (CID 54159946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).