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

Related Compounds

5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
methyl N-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-N-methylcarbamate
CID 51081735
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
butanedioic acid;2-methyloxirane
CID 87390185
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617027
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 81071477
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 94093975
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963

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).