1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid

C14H23N3O2 — CID 106978686

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cncn1CC
InChIInChI=1S/C14H23N3O2/c1-3-6-14(13(18)19)7-5-8-17(14)10-12-9-15-11-16(12)4-2/h9,11H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyMVEZZKJQVRDBCZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds6

About 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978686) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978686
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cncn1CC
InChIInChI=1S/C14H23N3O2/c1-3-6-14(13(18)19)7-5-8-17(14)10-12-9-15-11-16(12)4-2/h9,11H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyMVEZZKJQVRDBCZ-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid 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

1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
1-[(5-bromo-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979027
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979151
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636510
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979077
1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979102
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978686) is 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1cncn1CC.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is MVEZZKJQVRDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-6-14(13(18)19)7-5-8-17(14)10-12-9-15-11-16(12)4-2/h9,11H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).