1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid

C15H20N2O4 — CID 82216330

IUPAC1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(O)CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13-14,19H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyFERNRZFCYAGSPI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid

1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid (PubChem CID 82216330) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
PubChem CID82216330
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(O)CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13-14,19H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyFERNRZFCYAGSPI-UHFFFAOYSA-N
XLogP1.23
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-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

1-[2-hydroxy-2-[4-(2-methylprop-2-enoxy)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 82216432
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
CID 82216315
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
1-[2-hydroxy-2-(3-nitrophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82215983
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
CID 122038316
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
(2S)-1-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-2-carboxylic acid
CID 122038699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid (CID 82216330) is 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid is CC(=O)Nc1ccc(C(O)CN2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FERNRZFCYAGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)16-12-6-4-11(5-7-12)14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13-14,19H,2-3,8-9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetamidophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82216330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).