(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

C16H22N2O3 — CID 64599026

IUPAC(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)11(3)9-17-16(21)18-13-7-5-4-6-12(13)8-14(18)15(19)20/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,21)(H,19,20)/t11?,14-/m0/s1
InChIKeyRFVTXOKBOPAAQL-IAXJKZSUSA-N
MW290.36 g/mol
LogP2.50
Rot. Bonds4

About (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 64599026) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID64599026
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)11(3)9-17-16(21)18-13-7-5-4-6-12(13)8-14(18)15(19)20/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,21)(H,19,20)/t11?,14-/m0/s1
InChIKeyRFVTXOKBOPAAQL-IAXJKZSUSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411
(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465604
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (CID 64599026) is (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is CC(C)C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is RFVTXOKBOPAAQL-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)11(3)9-17-16(21)18-13-7-5-4-6-12(13)8-14(18)15(19)20/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,21)(H,19,20)/t11?,14-/m0/s1.
What are the key properties of (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.36 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 (2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 64599026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).