2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid

C13H18N2O2 — CID 102877523

IUPAC2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCc1cncc(CN2CCC(CC(=O)O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-12(7-14-6-10)9-15-3-2-11(8-15)5-13(16)17/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyJJGBMRZMQNYVLC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid

2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid (PubChem CID 102877523) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
PubChem CID102877523
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
SMILESCc1cncc(CN2CCC(CC(=O)O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-12(7-14-6-10)9-15-3-2-11(8-15)5-13(16)17/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyJJGBMRZMQNYVLC-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 79702647
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 66141891
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
1-[1-[(5-methyl-3-pyridinyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 102877541
2-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 114058142
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 63388705

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid (CID 102877523) is 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid is Cc1cncc(CN2CCC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is JJGBMRZMQNYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-12(7-14-6-10)9-15-3-2-11(8-15)5-13(16)17/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid?
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 102877523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).