2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride

C13H20ClN3O3 — CID 67521626

IUPAC2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride
SMILESCCCC1CC(=O)N(Cc2cncn2CC(=O)O)C1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-2-3-10-4-12(17)15(6-10)7-11-5-14-9-16(11)8-13(18)19;/h5,9-10H,2-4,6-8H2,1H3,(H,18,19);1H
InChIKeyUJSPTEVQGCSCGE-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.54
Rot. Bonds6

About 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride

2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride (PubChem CID 67521626) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride
PubChem CID67521626
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride
SMILESCCCC1CC(=O)N(Cc2cncn2CC(=O)O)C1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-2-3-10-4-12(17)15(6-10)7-11-5-14-9-16(11)8-13(18)19;/h5,9-10H,2-4,6-8H2,1H3,(H,18,19);1H
InChIKeyUJSPTEVQGCSCGE-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 15952555
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
1-(4-oxopentyl)-4-propylpyrrolidin-2-one
CID 104512085
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
CID 143347755
2-oxo-4-propylpyrrolidine-1-carboxylic acid
CID 22928680
5-hydroxy-4-propyloxolan-2-one;1,2-oxazol-4-ylmethanamine;1-(1,2-oxazol-4-ylmethyl)-4-propylpyrrolidin-2-one;hydrochloride
CID 157083456

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride (CID 67521626) is 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride is CCCC1CC(=O)N(Cc2cncn2CC(=O)O)C1.Cl.
What is the InChIKey of 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride?
The InChIKey is UJSPTEVQGCSCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-2-3-10-4-12(17)15(6-10)7-11-5-14-9-16(11)8-13(18)19;/h5,9-10H,2-4,6-8H2,1H3,(H,18,19);1H.
What are the key properties of 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride?
2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]imidazol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 67521626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).