3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid

C11H20N2O4 — CID 61200735

IUPAC3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid
SMILESCC1CN(C(=O)N(C)CCC(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O4/c1-8-7-17-9(2)6-13(8)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyYPQWMQJTUUJPSU-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds3

About 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid

3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid (PubChem CID 61200735) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid
PubChem CID61200735
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid
SMILESCC1CN(C(=O)N(C)CCC(=O)O)C(C)CO1
InChIInChI=1S/C11H20N2O4/c1-8-7-17-9(2)6-13(8)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyYPQWMQJTUUJPSU-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic 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 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid (CID 61200735) is 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid is CC1CN(C(=O)N(C)CCC(=O)O)C(C)CO1.
What is the InChIKey of 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is YPQWMQJTUUJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-7-17-9(2)6-13(8)11(16)12(3)5-4-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid?
3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 61200735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).