3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

C15H19NO4 — CID 63145264

IUPAC3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H19NO4/c1-2-15(14(19)20)6-7-16(10-15)13(18)9-11-4-3-5-12(17)8-11/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,19,20)
InChIKeyCQSPIKDFCNLTJB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.65
Rot. Bonds4

About 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63145264) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63145264
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H19NO4/c1-2-15(14(19)20)6-7-16(10-15)13(18)9-11-4-3-5-12(17)8-11/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,19,20)
InChIKeyCQSPIKDFCNLTJB-UHFFFAOYSA-N
XLogP1.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-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

1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
1-[2-(4-bromophenyl)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63146503
1-[3-(3-aminophenyl)propanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 115341444
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid (CID 63145264) is 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CQSPIKDFCNLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-15(14(19)20)6-7-16(10-15)13(18)9-11-4-3-5-12(17)8-11/h3-5,8,17H,2,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).