3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid

C15H28N2O2 — CID 83996953

IUPAC3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
SMILESCCN1CC(CCC(=O)O)CC(NCC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-17-10-13(6-7-15(18)19)8-14(11-17)16-9-12-4-3-5-12/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyHLOZDABJJSGLBD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds7

About 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid

3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid (PubChem CID 83996953) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
PubChem CID83996953
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
SMILESCCN1CC(CCC(=O)O)CC(NCC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-17-10-13(6-7-15(18)19)8-14(11-17)16-9-12-4-3-5-12/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyHLOZDABJJSGLBD-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-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-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid (CID 83996953) is 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid is CCN1CC(CCC(=O)O)CC(NCC2CCC2)C1.
What is the InChIKey of 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid?
The InChIKey is HLOZDABJJSGLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17-10-13(6-7-15(18)19)8-14(11-17)16-9-12-4-3-5-12/h12-14,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid?
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83996953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).