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

C13H24N2O4 — CID 61425117

IUPAC3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCCC1COC(C)CN1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-11-9-19-10(3)8-15(11)13(18)14(5-2)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyDMDHONKAWZUCOX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds5

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

3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 61425117) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID61425117
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCCC1COC(C)CN1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-11-9-19-10(3)8-15(11)13(18)14(5-2)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyDMDHONKAWZUCOX-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
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-[(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-methylmorpholin-4-yl)pentanoic acid
CID 62212916
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81156840
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid (CID 61425117) is 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid is CCC1COC(C)CN1C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is DMDHONKAWZUCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-11-9-19-10(3)8-15(11)13(18)14(5-2)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid?
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61425117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).