1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C14H22N4O3 — CID 107498094

IUPAC1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCCC1CCN(C(=O)NCCn2cnc(C(=O)O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-2-3-11-4-6-18(8-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyBFNKGNMOORZLFN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds6

About 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107498094) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107498094
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCCCC1CCN(C(=O)NCCn2cnc(C(=O)O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-2-3-11-4-6-18(8-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyBFNKGNMOORZLFN-UHFFFAOYSA-N
XLogP1.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid with MolForge

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Related Compounds

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CID 3011561
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CID 67643562
1-(2-(((tert-butoxy)carbonyl)amino)ethyl)-1H-imidazole-4-carboxylic acid
CID 107495580
1-methylimidazole-4-carboxylic acid;N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]heptan-1-amine
CID 162542556
1-cyclohexyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 171929135
2-Methyl-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-carboxylic acid
CID 65173006
1-(2-aminoethyl)-1H-imidazole-5-carboxylic acid
CID 83479766
1-[2-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 105945170
1-[2-[[1-(Trifluoromethyl)cyclopropyl]carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 106216404
1-[2-(2,2,3,3-Tetrafluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 106294785
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-carboxylic acid
CID 106716933

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107498094) is 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is CCCC1CCN(C(=O)NCCn2cnc(C(=O)O)c2)C1.
What is the InChIKey of 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is BFNKGNMOORZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-3-11-4-6-18(8-11)14(21)15-5-7-17-9-12(13(19)20)16-10-17/h9-11H,2-8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-propylpyrrolidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).