(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C15H19NO3 — CID 6926310

IUPAC(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-15(2,3)11-4-6-12(7-5-11)16-9-10(14(18)19)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyOOGSPIKJKLMYPV-SNVBAGLBSA-N
MW261.32 g/mol
LogP2.42
Rot. Bonds2

About (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 6926310) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID6926310
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-15(2,3)11-4-6-12(7-5-11)16-9-10(14(18)19)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyOOGSPIKJKLMYPV-SNVBAGLBSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 6926310) is (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is CC(C)(C)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OOGSPIKJKLMYPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)11-4-6-12(7-5-11)16-9-10(14(18)19)8-13(16)17/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 6926310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).