2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid

C12H14FNO2 — CID 83861094

IUPAC2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CN(C)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-7(12(15)16)10-6-14(2)11-4-3-8(13)5-9(10)11/h3-5,7,10H,6H2,1-2H3,(H,15,16)
InChIKeyFSXRMUYXNHLJRB-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.08
Rot. Bonds2

About 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid

2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 83861094) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID83861094
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CN(C)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2/c1-7(12(15)16)10-6-14(2)11-4-3-8(13)5-9(10)11/h3-5,7,10H,6H2,1-2H3,(H,15,16)
InChIKeyFSXRMUYXNHLJRB-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277266
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine-2-carboxylic acid
CID 68728751
1-[4-[2-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 22820671
2-(3-tert-butylazetidin-1-yl)-5-fluorobenzoic acid
CID 79686313
5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid (CID 83861094) is 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid is CC(C(=O)O)C1CN(C)c2ccc(F)cc21.
What is the InChIKey of 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is FSXRMUYXNHLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(12(15)16)10-6-14(2)11-4-3-8(13)5-9(10)11/h3-5,7,10H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid?
2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 83861094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).