(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid

C15H21N3O3 — CID 63699600

IUPAC(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-16(2)8-9-17(3)15(21)18-12-7-5-4-6-11(12)10-13(18)14(19)20/h4-7,13H,8-10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyCUJJDJRCHGEWPG-ZDUSSCGKSA-N
MW291.35 g/mol
LogP1.12
Rot. Bonds4

About (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 63699600) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID63699600
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(C)CCN(C)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-16(2)8-9-17(3)15(21)18-12-7-5-4-6-11(12)10-13(18)14(19)20/h4-7,13H,8-10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyCUJJDJRCHGEWPG-ZDUSSCGKSA-N
XLogP1.12
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[methyl(2-methylsulfanylethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103955199
(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61207294
(2S)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61206066
(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962
(2S)-1-[ethyl(2-hydroxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61208806
1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61447430
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61202892
1-[methyl(2-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63957255
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61452466
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 63699600) is (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid is CN(C)CCN(C)C(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is CUJJDJRCHGEWPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16(2)8-9-17(3)15(21)18-12-7-5-4-6-11(12)10-13(18)14(19)20/h4-7,13H,8-10H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 63699600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).