1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid

C16H21NO4 — CID 106977237

IUPAC1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C16H21NO4/c1-2-8-16(15(20)21)9-5-10-17(16)14(19)11-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyXXUKSNWUDCOSGE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid

1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977237) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977237
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C16H21NO4/c1-2-8-16(15(20)21)9-5-10-17(16)14(19)11-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyXXUKSNWUDCOSGE-UHFFFAOYSA-N
XLogP2.18
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977323
1-[2-[2-(aminomethyl)phenyl]acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83058477
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977153
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106977237) is 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)Cc1ccccc1O.
What is the InChIKey of 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is XXUKSNWUDCOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-8-16(15(20)21)9-5-10-17(16)14(19)11-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).