3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid

C16H18N2O3 — CID 119256600

IUPAC3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1ccc2c(C(=O)N3CCC(C)(C(=O)O)C3)cccc21
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)7-9-18(10-16)14(19)12-4-3-5-13-11(12)6-8-17(13)2/h3-6,8H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyGDCZAKHCDMNVNV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds2

About 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119256600) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119256600
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1ccc2c(C(=O)N3CCC(C)(C(=O)O)C3)cccc21
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)7-9-18(10-16)14(19)12-4-3-5-13-11(12)6-8-17(13)2/h3-6,8H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyGDCZAKHCDMNVNV-UHFFFAOYSA-N
XLogP2.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
1-(2-chloro-5-pyrrol-1-ylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 166258815
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119256600) is 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid is Cn1ccc2c(C(=O)N3CCC(C)(C(=O)O)C3)cccc21.
What is the InChIKey of 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GDCZAKHCDMNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(20)21)7-9-18(10-16)14(19)12-4-3-5-13-11(12)6-8-17(13)2/h3-6,8H,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).