3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid

C12H15NO4 — CID 115041955

IUPAC3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)13-7-6-12(16,8-13)11(14)15/h2-5,16H,6-8H2,1H3,(H,14,15)
InChIKeyYFKNMAJDXUKYNW-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.72
Rot. Bonds3

About 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid

3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 115041955) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID115041955
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)13-7-6-12(16,8-13)11(14)15/h2-5,16H,6-8H2,1H3,(H,14,15)
InChIKeyYFKNMAJDXUKYNW-UHFFFAOYSA-N
XLogP0.72
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
CID 142573439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
1-(2-methoxycarbonylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013235
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 115041955) is 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccccc1N1CCC(O)(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YFKNMAJDXUKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)13-7-6-12(16,8-13)11(14)15/h2-5,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid?
3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115041955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).