3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid

C14H26N2O4 — CID 61424912

IUPAC3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCCC1COC(C)CN1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-5-12-9-20-11(4)8-16(12)14(19)15(10(2)3)7-6-13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyUSDYPJNAMUIUSF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds5

About 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid

3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 61424912) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID61424912
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCCC1COC(C)CN1C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-5-12-9-20-11(4)8-16(12)14(19)15(10(2)3)7-6-13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyUSDYPJNAMUIUSF-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]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

3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid
CID 62212916
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 61200735
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one
CID 82848307
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361901

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 61424912) is 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid is CCC1COC(C)CN1C(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is USDYPJNAMUIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-12-9-20-11(4)8-16(12)14(19)15(10(2)3)7-6-13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61424912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).