1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C15H18N2O3 — CID 61209571

IUPAC1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC1CCCN1C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-10-3-2-7-16(10)15(20)17-8-6-11-9-12(14(18)19)4-5-13(11)17/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyICZCOQDXIRZLFW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.35
Rot. Bonds1

About 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61209571) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID61209571
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCC1CCCN1C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-10-3-2-7-16(10)15(20)17-8-6-11-9-12(14(18)19)4-5-13(11)17/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyICZCOQDXIRZLFW-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61200335
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 63361686
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 61209571) is 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid is CC1CCCN1C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is ICZCOQDXIRZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-3-2-7-16(10)15(20)17-8-6-11-9-12(14(18)19)4-5-13(11)17/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19).
What are the key properties of 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61209571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).