4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid

C12H23NO3 — CID 62212916

IUPAC4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid
SMILESCCC1COC(C)CN1C(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-11-8-16-10(3)7-13(11)9(2)5-6-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyUMARJRYMKXTRPG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds5

About 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid

4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid (PubChem CID 62212916) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid.

Molecular Properties

Compound Name4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid
PubChem CID62212916
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid
SMILESCCC1COC(C)CN1C(C)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-11-8-16-10(3)7-13(11)9(2)5-6-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyUMARJRYMKXTRPG-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
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
N-[3-(5-ethyl-2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62462123
N-tert-butyl-3-(5-ethyl-2-methylmorpholin-4-yl)butan-1-amine
CID 62462303
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
CID 43578522
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
3-(5-ethyl-2-methylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408801
2-(5-ethyl-2-methylmorpholin-4-yl)butanehydrazide
CID 63578551
3-[ethyl-(5-ethyl-2-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61425117
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
CID 60680544
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
2-(5-ethyl-2-methylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 62568189
butanedioic acid;2-methyloxirane
CID 87390185

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid?
The IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid (CID 62212916) is 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid.
What is the SMILES notation for 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid?
The canonical SMILES for 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid is CCC1COC(C)CN1C(C)CCC(=O)O.
What is the InChIKey of 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid?
The InChIKey is UMARJRYMKXTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-11-8-16-10(3)7-13(11)9(2)5-6-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid?
4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid is sourced from PubChem (CID 62212916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).