1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid

C11H12N2O3 — CID 80565297

IUPAC1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
SMILESNC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C11H12N2O3/c12-10(14)6-13-5-8(11(15)16)7-3-1-2-4-9(7)13/h1-4,8H,5-6H2,(H2,12,14)(H,15,16)
InChIKeySZZNTSOAGRJRJY-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.16
Rot. Bonds3

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

1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565297) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565297
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
SMILESNC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C11H12N2O3/c12-10(14)6-13-5-8(11(15)16)7-3-1-2-4-9(7)13/h1-4,8H,5-6H2,(H2,12,14)(H,15,16)
InChIKeySZZNTSOAGRJRJY-UHFFFAOYSA-N
XLogP0.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563640
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563519
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566268

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid (CID 80565297) is 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid is NC(=O)CN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is SZZNTSOAGRJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-10(14)6-13-5-8(11(15)16)7-3-1-2-4-9(7)13/h1-4,8H,5-6H2,(H2,12,14)(H,15,16).
What are the key properties of 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).