1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid

C15H14N2O3S — CID 115286864

IUPAC1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
SMILESNC(C(=O)N1c2ccccc2CC1C(=O)O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c16-13(12-6-3-7-21-12)14(18)17-10-5-2-1-4-9(10)8-11(17)15(19)20/h1-7,11,13H,8,16H2,(H,19,20)
InChIKeyXWVAWFUDODPXDJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid

1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 115286864) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID115286864
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
SMILESNC(C(=O)N1c2ccccc2CC1C(=O)O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c16-13(12-6-3-7-21-12)14(18)17-10-5-2-1-4-9(10)8-11(17)15(19)20/h1-7,11,13H,8,16H2,(H,19,20)
InChIKeyXWVAWFUDODPXDJ-UHFFFAOYSA-N
XLogP1.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-(2-aminopentanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967654
(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103870802
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 113279259
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105688
1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 13105676
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 65270017

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid (CID 115286864) is 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid is NC(C(=O)N1c2ccccc2CC1C(=O)O)c1cccs1.
What is the InChIKey of 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is XWVAWFUDODPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-13(12-6-3-7-21-12)14(18)17-10-5-2-1-4-9(10)8-11(17)15(19)20/h1-7,11,13H,8,16H2,(H,19,20).
What are the key properties of 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 115286864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).