4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid

C11H17N3O3 — CID 114351248

IUPAC4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1nccn1CCN1CC(O)CC1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8-12-2-3-13(8)4-5-14-7-9(15)6-10(14)11(16)17/h2-3,9-10,15H,4-7H2,1H3,(H,16,17)
InChIKeyTZOXRSWMLGMXPY-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.29
Rot. Bonds4

About 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351248) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID114351248
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1nccn1CCN1CC(O)CC1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8-12-2-3-13(8)4-5-14-7-9(15)6-10(14)11(16)17/h2-3,9-10,15H,4-7H2,1H3,(H,16,17)
InChIKeyTZOXRSWMLGMXPY-UHFFFAOYSA-N
XLogP-0.29
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903029
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
(2S,4R)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 135095107
(2S,4S)-4-hydroxy-1-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64713411
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
2-(ethylamino)-4-(2-methylimidazol-1-yl)butanoic acid
CID 63038987

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 114351248) is 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid is Cc1nccn1CCN1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TZOXRSWMLGMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-12-2-3-13(8)4-5-14-7-9(15)6-10(14)11(16)17/h2-3,9-10,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).