4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid

C16H21NO4 — CID 104511173

IUPAC4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
SMILESCC(C)C1CC(=O)N(CCOc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C16H21NO4/c1-11(2)13-9-15(18)17(10-13)7-8-21-14-5-3-12(4-6-14)16(19)20/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyGBIZNPFOBRGPNK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.27
Rot. Bonds6

About 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid

4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid (PubChem CID 104511173) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
PubChem CID104511173
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
SMILESCC(C)C1CC(=O)N(CCOc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C16H21NO4/c1-11(2)13-9-15(18)17(10-13)7-8-21-14-5-3-12(4-6-14)16(19)20/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyGBIZNPFOBRGPNK-UHFFFAOYSA-N
XLogP2.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic 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

4-(4-methylpentoxy)benzoic acid
CID 22645282
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
(2R)-2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 119334873
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 120501604
3-[2-(2-oxo-4-propylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 104511108
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid (CID 104511173) is 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid is CC(C)C1CC(=O)N(CCOc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is GBIZNPFOBRGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)13-9-15(18)17(10-13)7-8-21-14-5-3-12(4-6-14)16(19)20/h3-6,11,13H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid?
4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 104511173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).