1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid

C14H17NO4 — CID 79364441

IUPAC1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c1-9-12(14(18)19)6-7-15(9)13(17)8-10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,18,19)
InChIKeyCHMCZWCTKPTCEJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79364441) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79364441
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c1-9-12(14(18)19)6-7-15(9)13(17)8-10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,18,19)
InChIKeyCHMCZWCTKPTCEJ-UHFFFAOYSA-N
XLogP1.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371706
1-[2-(4-chlorophenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364498
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
(2R,3R)-1-[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116006
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-decanoyl-2-methylpyrrolidine-3-carboxylic acid
CID 79363466
(2S)-4-hydroxy-1-[2-(4-hydroxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61151655
1-[(4-ethylphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377613
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79364441) is 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CHMCZWCTKPTCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-12(14(18)19)6-7-15(9)13(17)8-10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).