3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid

C10H17NO3 — CID 114509620

IUPAC3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyNDYMRRZFAOCLOW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds4

About 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid

3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid (PubChem CID 114509620) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
PubChem CID114509620
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyNDYMRRZFAOCLOW-UHFFFAOYSA-N
XLogP0.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
CID 114508865
3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid
CID 56866045

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid (CID 114509620) is 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid is CCC1CN(CCC(=O)O)CCC1=O.
What is the InChIKey of 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid?
The InChIKey is NDYMRRZFAOCLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8-7-11(5-3-9(8)12)6-4-10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid?
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 114509620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).