4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid

C11H22N2O3 — CID 63028463

IUPAC4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
SMILESCCC1CN(CCC(NC)C(=O)O)CCO1
InChIInChI=1S/C11H22N2O3/c1-3-9-8-13(6-7-16-9)5-4-10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyMOAFVGJPKWXSJB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds6

About 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid

4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid (PubChem CID 63028463) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
PubChem CID63028463
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
SMILESCCC1CN(CCC(NC)C(=O)O)CCO1
InChIInChI=1S/C11H22N2O3/c1-3-9-8-13(6-7-16-9)5-4-10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyMOAFVGJPKWXSJB-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanamide
CID 63028456
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
4-dodecyl-2-ethylmorpholine
CID 4616518
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
2-(2-ethylmorpholin-4-yl)acetohydrazide
CID 63573112

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid (CID 63028463) is 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid is CCC1CN(CCC(NC)C(=O)O)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid?
The InChIKey is MOAFVGJPKWXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-9-8-13(6-7-16-9)5-4-10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid?
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63028463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).