1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid

C16H24N2O2 — CID 3350089

IUPAC1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(C)cn1)N1CCCC1C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-4-6-14(13-9-8-12(2)11-17-13)18-10-5-7-15(18)16(19)20/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyYVKLMJYKGJUQDY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.17
Rot. Bonds6

About 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid

1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid (PubChem CID 3350089) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
PubChem CID3350089
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(C)cn1)N1CCCC1C(=O)O
InChIInChI=1S/C16H24N2O2/c1-3-4-6-14(13-9-8-12(2)11-17-13)18-10-5-7-15(18)16(19)20/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyYVKLMJYKGJUQDY-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-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 5233551
1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3595945
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 5227467
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3970545
1-[(5-bromo-2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3899161
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[(2-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4527741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid (CID 3350089) is 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid is CCCCC(c1ccc(C)cn1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YVKLMJYKGJUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-6-14(13-9-8-12(2)11-17-13)18-10-5-7-15(18)16(19)20/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid?
1-[1-(5-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-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3350089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).