5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

C15H17N3O3 — CID 117463562

IUPAC5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCn1ccn(-c2cccc(C3CC(C(=O)O)CN3)c2)c1=O
InChIInChI=1S/C15H17N3O3/c1-17-5-6-18(15(17)21)12-4-2-3-10(7-12)13-8-11(9-16-13)14(19)20/h2-7,11,13,16H,8-9H2,1H3,(H,19,20)
InChIKeyXLNPTHVVHAKRMC-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.91
Rot. Bonds3

About 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117463562) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117463562
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCn1ccn(-c2cccc(C3CC(C(=O)O)CN3)c2)c1=O
InChIInChI=1S/C15H17N3O3/c1-17-5-6-18(15(17)21)12-4-2-3-10(7-12)13-8-11(9-16-13)14(19)20/h2-7,11,13,16H,8-9H2,1H3,(H,19,20)
InChIKeyXLNPTHVVHAKRMC-UHFFFAOYSA-N
XLogP0.91
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117376080
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839
5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116974
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117404845
5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxylic acid
CID 117469023
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117440154
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117490932
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 117463562) is 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is Cn1ccn(-c2cccc(C3CC(C(=O)O)CN3)c2)c1=O.
What is the InChIKey of 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XLNPTHVVHAKRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-5-6-18(15(17)21)12-4-2-3-10(7-12)13-8-11(9-16-13)14(19)20/h2-7,11,13,16H,8-9H2,1H3,(H,19,20).
What are the key properties of 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117463562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).