3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid

C17H24N2O4 — CID 2813229

IUPAC3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-17(2,12-16(21)22)11-15(20)18-13-5-3-4-6-14(13)19-7-9-23-10-8-19/h3-6H,7-12H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyOXEXPMUMUNHPHW-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.35
Rot. Bonds6

About 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid

3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid (PubChem CID 2813229) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
PubChem CID2813229
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-17(2,12-16(21)22)11-15(20)18-13-5-3-4-6-14(13)19-7-9-23-10-8-19/h3-6H,7-12H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyOXEXPMUMUNHPHW-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide
CID 24785267
3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
CID 6926722
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid (CID 2813229) is 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid?
The InChIKey is OXEXPMUMUNHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,12-16(21)22)11-15(20)18-13-5-3-4-6-14(13)19-7-9-23-10-8-19/h3-6H,7-12H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid?
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 2813229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).