1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C16H22N2O3 — CID 61202892

IUPAC1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)11(3)17(4)16(21)18-13-8-6-5-7-12(13)9-14(18)15(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,19,20)
InChIKeyDBPZKZNBIIFPNM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.60
Rot. Bonds3

About 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61202892) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61202892
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)11(3)17(4)16(21)18-13-8-6-5-7-12(13)9-14(18)15(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,19,20)
InChIKeyDBPZKZNBIIFPNM-UHFFFAOYSA-N
XLogP2.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61452466
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61207294
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-[methyl(2-methylsulfanylethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103955199
(2S)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61206066
1-[methyl(2-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63957255
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61202892) is 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CC(C)C(C)N(C)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DBPZKZNBIIFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)11(3)17(4)16(21)18-13-8-6-5-7-12(13)9-14(18)15(19)20/h5-8,10-11,14H,9H2,1-4H3,(H,19,20).
What are the key properties of 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61202892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).