1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

C15H19NO3 — CID 167456229

IUPAC1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccccc1C1(C(=O)O)CC(=O)N(C)C1
InChIInChI=1S/C15H19NO3/c1-10(2)11-6-4-5-7-12(11)15(14(18)19)8-13(17)16(3)9-15/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyILJQTGDMGOLPBE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds3

About 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 167456229) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID167456229
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccccc1C1(C(=O)O)CC(=O)N(C)C1
InChIInChI=1S/C15H19NO3/c1-10(2)11-6-4-5-7-12(11)15(14(18)19)8-13(17)16(3)9-15/h4-7,10H,8-9H2,1-3H3,(H,18,19)
InChIKeyILJQTGDMGOLPBE-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
3-(2-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 167456442
3-(2-propan-2-ylphenyl)azetidine-3-carboxylic acid;hydrochloride
CID 146265887
3-(3-hydroxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 84727070
1-(4-methoxycarbonylphenyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxylic acid
CID 177211093
2-[[4-carbamoyl-2-oxo-4-(2-propan-2-ylphenyl)pyrrolidin-1-yl]methoxy]ethyl thiohypoiodite
CID 167456432
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
5-methyl-1-(2-propan-2-ylphenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174840603
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117487174
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (CID 167456229) is 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is CC(C)c1ccccc1C1(C(=O)O)CC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ILJQTGDMGOLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)11-6-4-5-7-12(11)15(14(18)19)8-13(17)16(3)9-15/h4-7,10H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167456229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).