1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 63379392

IUPAC1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1C(=O)CC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)16-11(17)8-9(13(18)19)12(16)10-6-4-5-7-15-10/h4-7,9,12H,8H2,1-3H3,(H,18,19)
InChIKeyWXHCNQLIPGKDKD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.85
Rot. Bonds2

About 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid

1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 63379392) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID63379392
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1C(=O)CC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)16-11(17)8-9(13(18)19)12(16)10-6-4-5-7-15-10/h4-7,9,12H,8H2,1-3H3,(H,18,19)
InChIKeyWXHCNQLIPGKDKD-UHFFFAOYSA-N
XLogP1.85
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 63379392) is 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid is CC(C)(C)N1C(=O)CC(C(=O)O)C1c1ccccn1.
What is the InChIKey of 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is WXHCNQLIPGKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)16-11(17)8-9(13(18)19)12(16)10-6-4-5-7-15-10/h4-7,9,12H,8H2,1-3H3,(H,18,19).
What are the key properties of 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid?
1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).