3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C11H15N3O4 — CID 63144398

IUPAC3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-2-11(9(16)17)3-4-14(6-11)8(15)7-5-12-10(18)13-7/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySNPZJTPKQMXYTB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.03
Rot. Bonds3

About 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63144398) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63144398
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-2-11(9(16)17)3-4-14(6-11)8(15)7-5-12-10(18)13-7/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySNPZJTPKQMXYTB-UHFFFAOYSA-N
XLogP0.03
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145257
3-ethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 104772680
1-(4-chloro-1H-pyrrole-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144942
4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 155910949
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
3-ethyl-1-(3,4,5-trichloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144719
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146685
1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 106683456

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63144398) is 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SNPZJTPKQMXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-11(9(16)17)3-4-14(6-11)8(15)7-5-12-10(18)13-7/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).