3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid

C12H24N2O2 — CID 43308794

IUPAC3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
SMILESCCN1CCCC(C(C)NCCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-14-8-4-5-11(9-14)10(2)13-7-6-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyGAFXOHAFKSQQFY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds6

About 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid

3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid (PubChem CID 43308794) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
PubChem CID43308794
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
SMILESCCN1CCCC(C(C)NCCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-14-8-4-5-11(9-14)10(2)13-7-6-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyGAFXOHAFKSQQFY-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(1-ethylpiperidin-3-yl)ethylamino]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

N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
3-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-hydroxypropanamide
CID 114153668
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
1-[[1-(1-ethylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65105376
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
N-[2-(cyclohexen-1-yl)ethyl]-1-(1-ethylpiperidin-3-yl)ethanamine
CID 43308101
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid (CID 43308794) is 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid is CCN1CCCC(C(C)NCCC(=O)O)C1.
What is the InChIKey of 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid?
The InChIKey is GAFXOHAFKSQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14-8-4-5-11(9-14)10(2)13-7-6-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid?
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid is sourced from PubChem (CID 43308794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).