2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid

C10H17NO4 — CID 21025679

IUPAC2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO4/c1-7(8(2)10(13)14)9(12)11-3-5-15-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySIXASKXCWMWEMV-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.20
Rot. Bonds3

About 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid

2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 21025679) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID21025679
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO4/c1-7(8(2)10(13)14)9(12)11-3-5-15-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySIXASKXCWMWEMV-UHFFFAOYSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Morpholin-4-yl)-4-oxobutanoic acid
CID 225378
1-[2-(Morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16764453
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691
4-(2,6-Dimethylmorpholin-4-yl)-4-oxobutanoic acid
CID 6466368
(3S,4R)-4-(morpholine-4-carbonyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203758
Tert-butyl 4-morpholin-4-yl-4-oxobutanoate
CID 24881835
Methyl 4-(morpholin-4-yl)-4-oxobutanoate
CID 294206
5-Oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 50979122
3-Methyl-2-(morpholine-4-carbonyl)butanoic acid
CID 10242374
4-[4-(Methoxycarbonyl)piperidino]-4-oxobutanoic acid
CID 1475085
4-(4-Ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 3612040
4-Methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 18768953

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid (CID 21025679) is 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is SIXASKXCWMWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(8(2)10(13)14)9(12)11-3-5-15-6-4-11/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid?
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 21025679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).