methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate

C11H15N3O3 — CID 103511730

IUPACmethyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C11H15N3O3/c1-13-7-12-5-9(13)10(15)14-4-3-8(6-14)11(16)17-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPSVANDJLQOGMQX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.06
Rot. Bonds2

About methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 103511730) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
PubChem CID103511730
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C11H15N3O3/c1-13-7-12-5-9(13)10(15)14-4-3-8(6-14)11(16)17-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPSVANDJLQOGMQX-UHFFFAOYSA-N
XLogP0.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone
CID 86715621
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate (CID 103511730) is methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cncn2C)C1.
What is the InChIKey of methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is PSVANDJLQOGMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-7-12-5-9(13)10(15)14-4-3-8(6-14)11(16)17-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 103511730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).