2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid

C11H21NO3 — CID 82238422

IUPAC2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)N1CCOC(C)C1
InChIInChI=1S/C11H21NO3/c1-4-11(5-2,10(13)14)12-6-7-15-9(3)8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHXVXIEGPFYZVCQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid

2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid (PubChem CID 82238422) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
PubChem CID82238422
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)N1CCOC(C)C1
InChIInChI=1S/C11H21NO3/c1-4-11(5-2,10(13)14)12-6-7-15-9(3)8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHXVXIEGPFYZVCQ-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
CID 131160202
2-(ethylamino)-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 62833188
azane;(2-methylmorpholin-4-yl) propanoate
CID 174846679
2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 62988989
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
CID 130593590
(2S)-2,4-dimethylmorpholine;propane
CID 178115221

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid (CID 82238422) is 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid is CCC(CC)(C(=O)O)N1CCOC(C)C1.
What is the InChIKey of 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid?
The InChIKey is HXVXIEGPFYZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(5-2,10(13)14)12-6-7-15-9(3)8-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid?
2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 82238422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).