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

C12H16N2O2 — CID 112650921

IUPAC3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccnc1CC1(C(=O)O)CCNC1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-5-14-10(9)7-12(11(15)16)4-6-13-8-12/h2-3,5,13H,4,6-8H2,1H3,(H,15,16)
InChIKeyBDLFFFOYECIWTR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.00
Rot. Bonds3

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

3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 112650921) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID112650921
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccnc1CC1(C(=O)O)CCNC1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-5-14-10(9)7-12(11(15)16)4-6-13-8-12/h2-3,5,13H,4,6-8H2,1H3,(H,15,16)
InChIKeyBDLFFFOYECIWTR-UHFFFAOYSA-N
XLogP1.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107147298
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
3-[(2,6-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140571
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 103186257
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 72852523
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79425515

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (CID 112650921) is 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is Cc1cccnc1CC1(C(=O)O)CCNC1.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BDLFFFOYECIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-2-5-14-10(9)7-12(11(15)16)4-6-13-8-12/h2-3,5,13H,4,6-8H2,1H3,(H,15,16).
What are the key properties of 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112650921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).