4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid

C17H23NO5 — CID 118541752

IUPAC4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)C1(O)CNC(C(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(21)17(22)10-13(14(19)20)18-11-17/h3-7,13,18,22H,8-11H2,1-2H3,(H,19,20)
InChIKeyYZRPQNZYGGMGLT-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.12
Rot. Bonds6

About 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid

4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 118541752) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID118541752
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(CCc1ccccc1)OC(=O)C1(O)CNC(C(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(21)17(22)10-13(14(19)20)18-11-17/h3-7,13,18,22H,8-11H2,1-2H3,(H,19,20)
InChIKeyYZRPQNZYGGMGLT-UHFFFAOYSA-N
XLogP1.12
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
(2-methyl-5-phenylpentan-2-yl) benzoate
CID 118040368
8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
(3R)-8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97145994
(2-methyl-4-phenylbutan-2-yl) 2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 66652180
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
1-bromo-3,3-dimethyl-5-phenylpentan-2-one
CID 164769527

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid (CID 118541752) is 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid is CC(C)(CCc1ccccc1)OC(=O)C1(O)CNC(C(=O)O)C1.
What is the InChIKey of 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is YZRPQNZYGGMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-16(2,9-8-12-6-4-3-5-7-12)23-15(21)17(22)10-13(14(19)20)18-11-17/h3-7,13,18,22H,8-11H2,1-2H3,(H,19,20).
What are the key properties of 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid?
4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methyl-4-phenylbutan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118541752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).