5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid

C12H21NO4 — CID 62964019

IUPAC5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H21NO4/c1-9(7-11(15)16)6-10(14)13-4-5-17-12(2,3)8-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyUMNIHHUJJLBPNL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds4

About 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid

5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 62964019) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
PubChem CID62964019
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H21NO4/c1-9(7-11(15)16)6-10(14)13-4-5-17-12(2,3)8-13/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyUMNIHHUJJLBPNL-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61202209
1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119732360

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid (CID 62964019) is 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is UMNIHHUJJLBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(7-11(15)16)6-10(14)13-4-5-17-12(2,3)8-13/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).