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

C15H22N2O2 — CID 134595460

IUPAC1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(CN2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)13-5-4-11(8-16-13)9-17-7-6-12(10-17)14(18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyXSHZPDUSJVREPN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds3

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

1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 134595460) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID134595460
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(CN2CCC(C(=O)O)C2)cn1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)13-5-4-11(8-16-13)9-17-7-6-12(10-17)14(18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyXSHZPDUSJVREPN-UHFFFAOYSA-N
XLogP2.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63032730
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
2-[1-[(6-tert-butyl-3-pyridinyl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166288962
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 144687726
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (CID 134595460) is 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is CC(C)(C)c1ccc(CN2CCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XSHZPDUSJVREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)13-5-4-11(8-16-13)9-17-7-6-12(10-17)14(18)19/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 134595460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).