4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid

C13H15NO6 — CID 24695969

IUPAC4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CC(O)CC2C(=O)O)c1O
InChIInChI=1S/C13H15NO6/c1-20-10-4-2-3-8(11(10)16)12(17)14-6-7(15)5-9(14)13(18)19/h2-4,7,9,15-16H,5-6H2,1H3,(H,18,19)
InChIKeyKHESEVUIWXKCIZ-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.06
Rot. Bonds3

About 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 24695969) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID24695969
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CC(O)CC2C(=O)O)c1O
InChIInChI=1S/C13H15NO6/c1-20-10-4-2-3-8(11(10)16)12(17)14-6-7(15)5-9(14)13(18)19/h2-4,7,9,15-16H,5-6H2,1H3,(H,18,19)
InChIKeyKHESEVUIWXKCIZ-UHFFFAOYSA-N
XLogP0.06
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S,4S)-4-hydroxy-1-(2-hydroxy-5-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 64713874
(2S)-1-[2-(difluoromethoxy)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153085
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
(2S,4S)-1-(3-bromo-4-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714587
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid (CID 24695969) is 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid is COc1cccc(C(=O)N2CC(O)CC2C(=O)O)c1O.
What is the InChIKey of 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KHESEVUIWXKCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-20-10-4-2-3-8(11(10)16)12(17)14-6-7(15)5-9(14)13(18)19/h2-4,7,9,15-16H,5-6H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24695969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).