1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C16H30N2O2 — CID 65065192

IUPAC1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCCC(CC)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-3-13(4-2)12-17-10-7-14(8-11-17)18-9-5-6-15(18)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyLPKRHUMEWUPFGY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.44
Rot. Bonds6

About 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 65065192) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID65065192
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCCC(CC)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-3-13(4-2)12-17-10-7-14(8-11-17)18-9-5-6-15(18)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyLPKRHUMEWUPFGY-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114494851
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 65065192) is 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CCC(CC)CN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is LPKRHUMEWUPFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-13(4-2)12-17-10-7-14(8-11-17)18-9-5-6-15(18)16(19)20/h13-15H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65065192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).