3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid

C12H14FNO2 — CID 83860632

IUPAC3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cc(F)ccc2N1)C(=O)O
InChIInChI=1S/C12H14FNO2/c1-7(12(15)16)4-10-6-8-5-9(13)2-3-11(8)14-10/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16)
InChIKeyVULVOTYPSMSUAY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.27
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid

3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid (PubChem CID 83860632) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
PubChem CID83860632
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1Cc2cc(F)ccc2N1)C(=O)O
InChIInChI=1S/C12H14FNO2/c1-7(12(15)16)4-10-6-8-5-9(13)2-3-11(8)14-10/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16)
InChIKeyVULVOTYPSMSUAY-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indoline-2-carboxylic acid, (S)-
CID 2733920
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328543
(2S)-2-Amino-3-(2-oxoindolin-3-yl)propanoic acid
CID 13393248
2-[4-(Cyclopentylamino)-2-fluoro-phenyl]propionic acid
CID 60155529
Oxindolylalanine
CID 159768
4-(2-oxo-2,3-dihydro-1H-indol-5-yl)butanoic acid
CID 28744234
3-(2,3-Dihydro-1-(1H)-Indole)Propanoic Acid
CID 3864552
Methyl 2,3-dihydro-1H-indole-2-acetate
CID 9990119
Indoline-3-carboxylic acid
CID 19697631
Methyl indoline-3-carboxylate
CID 45073772

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid (CID 83860632) is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid is CC(CC1Cc2cc(F)ccc2N1)C(=O)O.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid?
The InChIKey is VULVOTYPSMSUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(12(15)16)4-10-6-8-5-9(13)2-3-11(8)14-10/h2-3,5,7,10,14H,4,6H2,1H3,(H,15,16).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid?
3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83860632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).