2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid

C12H14N2O3 — CID 80578328

IUPAC2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESNC(=O)CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c13-11(15)7-14-6-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7H2,(H2,13,15)(H,16,17)
InChIKeySSJDMNGMKAJYHF-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.55
Rot. Bonds4

About 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80578328) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80578328
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESNC(=O)CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c13-11(15)7-14-6-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7H2,(H2,13,15)(H,16,17)
InChIKeySSJDMNGMKAJYHF-UHFFFAOYSA-N
XLogP0.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80578328) is 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid is NC(=O)CN1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is SSJDMNGMKAJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(15)7-14-6-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7H2,(H2,13,15)(H,16,17).
What are the key properties of 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80578328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).