3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid

C18H32N2O2 — CID 83998032

IUPAC3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CC(NCC2CCCC2)CN(C2CCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)9-8-15-10-16(19-11-14-4-1-2-5-14)13-20(12-15)17-6-3-7-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyMLUFZBQPVHYZEJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds7

About 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid

3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid (PubChem CID 83998032) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
PubChem CID83998032
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CC(NCC2CCCC2)CN(C2CCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)9-8-15-10-16(19-11-14-4-1-2-5-14)13-20(12-15)17-6-3-7-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyMLUFZBQPVHYZEJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
3-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996650
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid (CID 83998032) is 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid is O=C(O)CCC1CC(NCC2CCCC2)CN(C2CCC2)C1.
What is the InChIKey of 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is MLUFZBQPVHYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-18(22)9-8-15-10-16(19-11-14-4-1-2-5-14)13-20(12-15)17-6-3-7-17/h14-17,19H,1-13H2,(H,21,22).
What are the key properties of 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid?
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid has a molecular weight of 308.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83998032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).