5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid

C15H17N3O3 — CID 117463560

IUPAC5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCc1c[nH]c(=O)n1-c1ccc(C2CC(C(=O)O)CN2)cc1
InChIInChI=1S/C15H17N3O3/c1-9-7-17-15(21)18(9)12-4-2-10(3-5-12)13-6-11(8-16-13)14(19)20/h2-5,7,11,13,16H,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyRNSVDPPCWWGXQW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds3

About 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid

5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117463560) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117463560
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCc1c[nH]c(=O)n1-c1ccc(C2CC(C(=O)O)CN2)cc1
InChIInChI=1S/C15H17N3O3/c1-9-7-17-15(21)18(9)12-4-2-10(3-5-12)13-6-11(8-16-13)14(19)20/h2-5,7,11,13,16H,6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyRNSVDPPCWWGXQW-UHFFFAOYSA-N
XLogP1.21
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(triazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117399252
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
5-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117401897
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117440154
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 117463560) is 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid is Cc1c[nH]c(=O)n1-c1ccc(C2CC(C(=O)O)CN2)cc1.
What is the InChIKey of 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RNSVDPPCWWGXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-17-15(21)18(9)12-4-2-10(3-5-12)13-6-11(8-16-13)14(19)20/h2-5,7,11,13,16H,6,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid?
5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117463560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).