1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

C12H16N2O2 — CID 104823895

IUPAC1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(CN2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10(6-13-9)7-14-5-4-11(8-14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeySGAREOJBEUNFOK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.30
Rot. Bonds3

About 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 104823895) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID104823895
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(CN2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10(6-13-9)7-14-5-4-11(8-14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeySGAREOJBEUNFOK-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63032730
N-ethyl-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 62994803
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 144687726
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
CID 62995501
1-[2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]-2-chloropropan-1-one
CID 146098671
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
1-[(2-methylthiophen-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 130581527
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (CID 104823895) is 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is Cc1ccc(CN2CCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SGAREOJBEUNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-2-3-10(6-13-9)7-14-5-4-11(8-14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104823895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).