5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid

C9H13N3O2 — CID 112574792

IUPAC5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCn1ccnc1C1CCC(C(=O)O)N1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-10-8(12)6-2-3-7(11-6)9(13)14/h4-7,11H,2-3H2,1H3,(H,13,14)
InChIKeyROLAOCUAFVJWTQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds2

About 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid

5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 112574792) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID112574792
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCn1ccnc1C1CCC(C(=O)O)N1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-10-8(12)6-2-3-7(11-6)9(13)14/h4-7,11H,2-3H2,1H3,(H,13,14)
InChIKeyROLAOCUAFVJWTQ-UHFFFAOYSA-N
XLogP0.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(1-methylimidazol-2-yl)piperidin-4-one
CID 82401923
5-methyl-2-(1-methylimidazol-2-yl)piperidine
CID 106779130
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,3R,5S,6S)-2,3,5,6-tetrakis(1-methylimidazol-2-yl)piperazine
CID 132558437
1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
(6R)-6-(1-methylimidazol-2-yl)piperidine-2,4-dione
CID 130641897
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
2-(1-methylimidazol-2-yl)-5-(trifluoromethyl)piperidine
CID 106779136
2-cyclopentyl-1-methylimidazole
CID 83382106
5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
CID 107331164

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid (CID 112574792) is 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid is Cn1ccnc1C1CCC(C(=O)O)N1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ROLAOCUAFVJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-5-4-10-8(12)6-2-3-7(11-6)9(13)14/h4-7,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid?
5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112574792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).