2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid

C13H16N2O3 — CID 80573232

IUPAC2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyXTWUJNGGFJGIGC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid (PubChem CID 80573232) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
PubChem CID80573232
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyXTWUJNGGFJGIGC-UHFFFAOYSA-N
XLogP1.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid (CID 80573232) is 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid is CC(NC(=O)CC1CNc2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is XTWUJNGGFJGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid?
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 80573232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).