2-(2-ethylpiperidin-1-yl)propanoic acid

C10H19NO2 — CID 20985444

IUPAC2-(2-ethylpiperidin-1-yl)propanoic acid
SMILESCCC1CCCCN1C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-9-6-4-5-7-11(9)8(2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXMCZWDMTMFJNEP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)propanoic acid

2-(2-ethylpiperidin-1-yl)propanoic acid (PubChem CID 20985444) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)propanoic acid
PubChem CID20985444
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(2-ethylpiperidin-1-yl)propanoic acid
SMILESCCC1CCCCN1C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-9-6-4-5-7-11(9)8(2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXMCZWDMTMFJNEP-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethylpiperidin-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

2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
CID 79407214
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)propanoic acid (CID 20985444) is 2-(2-ethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)propanoic acid is CCC1CCCCN1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)propanoic acid?
The InChIKey is XMCZWDMTMFJNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9-6-4-5-7-11(9)8(2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-ethylpiperidin-1-yl)propanoic acid?
2-(2-ethylpiperidin-1-yl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 20985444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).