1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid

C11H16N4O3 — CID 79383293

IUPAC1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-7-8(10(16)17)2-5-15(7)11(18)14-6-9-12-3-4-13-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,13)(H,14,18)(H,16,17)
InChIKeyXXPODENFQLZNIQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.41
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid

1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79383293) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79383293
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-7-8(10(16)17)2-5-15(7)11(18)14-6-9-12-3-4-13-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,13)(H,14,18)(H,16,17)
InChIKeyXXPODENFQLZNIQ-UHFFFAOYSA-N
XLogP0.41
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383131
1-[(4-cyanophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377623
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383612
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113431054
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851
1-[1-(1H-imidazol-2-ylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311961
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79383293) is 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XXPODENFQLZNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-8(10(16)17)2-5-15(7)11(18)14-6-9-12-3-4-13-9/h3-4,7-8H,2,5-6H2,1H3,(H,12,13)(H,14,18)(H,16,17).
What are the key properties of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).