3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid

C10H17NO2 — CID 155742151

IUPAC3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid
SMILESCCC1(CCC(=O)O)CC=NCC1
InChIInChI=1S/C10H17NO2/c1-2-10(4-3-9(12)13)5-7-11-8-6-10/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyKDLUHPDIFWHWHF-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.11
Rot. Bonds4

About 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid

3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid (PubChem CID 155742151) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid
PubChem CID155742151
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid
SMILESCCC1(CCC(=O)O)CC=NCC1
InChIInChI=1S/C10H17NO2/c1-2-10(4-3-9(12)13)5-7-11-8-6-10/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyKDLUHPDIFWHWHF-UHFFFAOYSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-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

2-[1-[(Ethylideneamino)methyl]cyclohexyl]acetic acid
CID 76326177
4,4-Dimethyl-2-(methyliminomethyl)pentanoic acid
CID 57083214
6-Azaspiro[3.4]oct-6-ene-2-carboxylic acid
CID 69043389
5-Imidazol-2-ylium-2-yl-2,2-dimethylpentanoic acid
CID 90874024
3-(3,4-dihydro-2H-pyrrol-4-yl)-2-methylpropanoic acid
CID 91307768
(3R)-5-methyl-3-(methyliminomethyl)hexanoic acid
CID 144277695
5-Methyl-3-(methyliminomethyl)hexanoic acid
CID 144467816
[3-(Carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium
CID 163876059
6-Ethylimino-3,4,5-trimethylhexanoic acid
CID 175448924

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid (CID 155742151) is 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid is CCC1(CCC(=O)O)CC=NCC1.
What is the InChIKey of 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid?
The InChIKey is KDLUHPDIFWHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(4-3-9(12)13)5-7-11-8-6-10/h7H,2-6,8H2,1H3,(H,12,13).
What are the key properties of 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid?
3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3,5-dihydro-2H-pyridin-4-yl)propanoic acid is sourced from PubChem (CID 155742151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).