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

C12H14N2O3 — CID 80573099

IUPAC2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H14N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,8,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyMXAWIOJCDFWSQS-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.79
Rot. Bonds4

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

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 80573099) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID80573099
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H14N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,8,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyMXAWIOJCDFWSQS-UHFFFAOYSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 106390914
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid (CID 80573099) is 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is MXAWIOJCDFWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,8,13H,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid?
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.79, 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]acetic acid is sourced from PubChem (CID 80573099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).