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

C17H32N2O2 — CID 83997675

IUPAC3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-9-19-12-15(7-8-17(20)21)10-16(13-19)18-11-14-5-3-4-6-14/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyPMKAVNKBQNQWNP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.73
Rot. Bonds8

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

3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid (PubChem CID 83997675) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
PubChem CID83997675
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-9-19-12-15(7-8-17(20)21)10-16(13-19)18-11-14-5-3-4-6-14/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyPMKAVNKBQNQWNP-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid (CID 83997675) is 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid is CCCN1CC(CCC(=O)O)CC(NCC2CCCC2)C1.
What is the InChIKey of 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid?
The InChIKey is PMKAVNKBQNQWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-9-19-12-15(7-8-17(20)21)10-16(13-19)18-11-14-5-3-4-6-14/h14-16,18H,2-13H2,1H3,(H,20,21).
What are the key properties of 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid?
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83997675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).