4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid

C10H17NO4 — CID 135397344

IUPAC4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid
SMILESCOC(=O)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C10H17NO4/c1-15-9(12)7-8(10(13)14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOKDRCPVZRUMGNI-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds4

About 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid

4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid (PubChem CID 135397344) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid
PubChem CID135397344
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid
SMILESCOC(=O)CC(C(=O)O)N1CCCCC1
InChIInChI=1S/C10H17NO4/c1-15-9(12)7-8(10(13)14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOKDRCPVZRUMGNI-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
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
4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
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
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
4-O-ethyl 1-O-methyl 2-piperidin-1-ylbutanedioate
CID 121001707
1-O-ethyl 4-O-methyl 2-methyl-3-piperidin-1-ylbutanedioate
CID 135016028
(3R)-4-ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 1854478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid?
The IUPAC name of 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid (CID 135397344) is 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid?
The canonical SMILES for 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid is COC(=O)CC(C(=O)O)N1CCCCC1.
What is the InChIKey of 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid?
The InChIKey is OKDRCPVZRUMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-9(12)7-8(10(13)14)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid?
4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-oxo-2-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 135397344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).