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

C12H14N2O3 — CID 82041294

IUPAC2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CCc2ccccc21
InChIInChI=1S/C12H14N2O3/c15-11(13-7-12(16)17)8-14-6-5-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H,13,15)(H,16,17)
InChIKeyFHJXYBCUXDGQRD-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.25
Rot. Bonds4

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

2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid (PubChem CID 82041294) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
PubChem CID82041294
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1CCc2ccccc21
InChIInChI=1S/C12H14N2O3/c15-11(13-7-12(16)17)8-14-6-5-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H,13,15)(H,16,17)
InChIKeyFHJXYBCUXDGQRD-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]propanoic acid
CID 82041853
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-(2,3-dihydroindol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8704309
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid (CID 82041294) is 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CN1CCc2ccccc21.
What is the InChIKey of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid?
The InChIKey is FHJXYBCUXDGQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(13-7-12(16)17)8-14-6-5-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid?
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82041294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).