1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid

C16H24N2O2 — CID 3595945

IUPAC1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ncccc1C)N1CCCC1C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-4-8-13(15-12(2)7-5-10-17-15)18-11-6-9-14(18)16(19)20/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyIMJUHNKMIUZDKT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.17
Rot. Bonds6

About 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid

1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid (PubChem CID 3595945) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
PubChem CID3595945
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ncccc1C)N1CCCC1C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-4-8-13(15-12(2)7-5-10-17-15)18-11-6-9-14(18)16(19)20/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyIMJUHNKMIUZDKT-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733
1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3350089
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(3,5-dimethylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5222322
1-[(3-methyl-2-pyridinyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4274900
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[(3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3595943
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5125172

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid (CID 3595945) is 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid is CCCCC(c1ncccc1C)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IMJUHNKMIUZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-8-13(15-12(2)7-5-10-17-15)18-11-6-9-14(18)16(19)20/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3595945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).