2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid

C13H18N2O2 — CID 79383099

IUPAC2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccn1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H18N2O2/c1-9-11(13(16)17)6-8-15(9)10(2)12-5-3-4-7-14-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,16,17)
InChIKeyKIKJWEIODAQXIK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 79383099) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
PubChem CID79383099
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccn1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H18N2O2/c1-9-11(13(16)17)6-8-15(9)10(2)12-5-3-4-7-14-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,16,17)
InChIKeyKIKJWEIODAQXIK-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376828
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(1S)-1-pyridin-2-ylethyl]piperazine-2-carboxylic acid
CID 129460310
2-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 79376615
N-ethyl-2-methyl-1-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 54976631
1-[1-(2,5-dichlorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383025
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid (CID 79383099) is 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid is CC(c1ccccn1)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KIKJWEIODAQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-11(13(16)17)6-8-15(9)10(2)12-5-3-4-7-14-12/h3-5,7,9-11H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).