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

C13H24N2O4 — CID 80540606

IUPAC4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1COC(C)CN1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-11-8-19-10(3)7-15(11)13(18)14-6-5-9(2)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKHKMOZUMWKCVSG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

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

4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80540606) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80540606
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1COC(C)CN1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-11-8-19-10(3)7-15(11)13(18)14-6-5-9(2)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKHKMOZUMWKCVSG-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360
4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540703
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81156840
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61424649
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid (CID 80540606) is 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid is CCC1COC(C)CN1C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is KHKMOZUMWKCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-11-8-19-10(3)7-15(11)13(18)14-6-5-9(2)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid?
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).