5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid

C15H18N2O3 — CID 117438401

IUPAC5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc2cc(C)[nH]c2cc1C1CC(C(=O)O)CN1
InChIInChI=1S/C15H18N2O3/c1-8-3-9-5-14(20-2)11(6-12(9)17-8)13-4-10(7-16-13)15(18)19/h3,5-6,10,13,16-17H,4,7H2,1-2H3,(H,18,19)
InChIKeyWRSUMZRLXNKRHX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.22
Rot. Bonds3

About 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid

5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117438401) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117438401
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc2cc(C)[nH]c2cc1C1CC(C(=O)O)CN1
InChIInChI=1S/C15H18N2O3/c1-8-3-9-5-14(20-2)11(6-12(9)17-8)13-4-10(7-16-13)15(18)19/h3,5-6,10,13,16-17H,4,7H2,1-2H3,(H,18,19)
InChIKeyWRSUMZRLXNKRHX-UHFFFAOYSA-N
XLogP2.22
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117447014
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-[4-(dimethylamino)-2,5-dimethoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117474882
5-(4-fluoro-5-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390670
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
5-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117473426
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid
CID 117410023
5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117440422
5-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 117475863

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid (CID 117438401) is 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid is COc1cc2cc(C)[nH]c2cc1C1CC(C(=O)O)CN1.
What is the InChIKey of 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is WRSUMZRLXNKRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8-3-9-5-14(20-2)11(6-12(9)17-8)13-4-10(7-16-13)15(18)19/h3,5-6,10,13,16-17H,4,7H2,1-2H3,(H,18,19).
What are the key properties of 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid?
5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).