4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid

C11H19NO4 — CID 661641

IUPAC4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
SMILESCCOC(=O)C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)9(8-10(13)14)12-6-4-3-5-7-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyMOWTYRYWLKBMTP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid

4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid (PubChem CID 661641) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
PubChem CID661641
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
SMILESCCOC(=O)C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C11H19NO4/c1-2-16-11(15)9(8-10(13)14)12-6-4-3-5-7-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyMOWTYRYWLKBMTP-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
3-Morpholino-4-(nonyloxy)-4-oxobutanoic acid
CID 3813687
2-Piperidin-1-yl-succinic acid dipentyl ester
CID 9549527
L,D-morpholinosuccinic acid
CID 12615272
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
4-Methoxy-4-oxo-2-(piperidin-1-yl)butanoic acid hydrochloride
CID 137944250
2-(Piperidin-1-yl)succinic acid
CID 12615274
Dipentyl 2-piperidin-1-ylbutanedioate
CID 3094195
methyl (2R*,4S*)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
CID 133118263
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Maleic acid + morpholine
CID 7060825

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid?
The IUPAC name of 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid (CID 661641) is 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid?
The canonical SMILES for 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid is CCOC(=O)C(CC(=O)O)N1CCCCC1.
What is the InChIKey of 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid?
The InChIKey is MOWTYRYWLKBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-11(15)9(8-10(13)14)12-6-4-3-5-7-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid?
4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 661641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).