1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid

C15H20N2O3 — CID 62691645

IUPAC1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCC(C)CNC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-10(2)9-16-15(20)17-7-6-11-8-12(14(18)19)4-5-13(11)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNZGNPUARLMBQIU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.50
Rot. Bonds4

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

1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 62691645) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID62691645
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCC(C)CNC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-10(2)9-16-15(20)17-7-6-11-8-12(14(18)19)4-5-13(11)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNZGNPUARLMBQIU-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62118793
1-[methyl(pentan-3-yl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61201023
1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199095
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(hex-1-yn-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 106232456
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 62336981
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (CID 62691645) is 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is CCC(C)CNC(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is NZGNPUARLMBQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10(2)9-16-15(20)17-7-6-11-8-12(14(18)19)4-5-13(11)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 62691645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).