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

C12H13NO3 — CID 44720734

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-8(14)13-7-9(6-12(15)16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyLOEVDSKLXQNDEX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.61
Rot. Bonds2

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

2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 44720734) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID44720734
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-8(14)13-7-9(6-12(15)16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyLOEVDSKLXQNDEX-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 122202357
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82496057
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
CID 110681951

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid (CID 44720734) is 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid is CC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is LOEVDSKLXQNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)13-7-9(6-12(15)16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid?
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 44720734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).