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

C13H16FNO2 — CID 117201234

IUPAC2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
SMILESCCN1c2ccc(F)cc2CC1C(C)C(=O)O
InChIInChI=1S/C13H16FNO2/c1-3-15-11-5-4-10(14)6-9(11)7-12(15)8(2)13(16)17/h4-6,8,12H,3,7H2,1-2H3,(H,16,17)
InChIKeyMXDQXFCFOWUASY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.30
Rot. Bonds3

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

2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid (PubChem CID 117201234) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
PubChem CID117201234
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
SMILESCCN1c2ccc(F)cc2CC1C(C)C(=O)O
InChIInChI=1S/C13H16FNO2/c1-3-15-11-5-4-10(14)6-9(11)7-12(15)8(2)13(16)17/h4-6,8,12H,3,7H2,1-2H3,(H,16,17)
InChIKeyMXDQXFCFOWUASY-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201154
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201218
1-(1-ethyl-5-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117200832
2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
CID 83861094
(2S)-2-amino-4-(3-tert-butyl-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid
CID 166270586
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717
2-(1-acetyl-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-4-yl)acetic acid
CID 82624855

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid?
The IUPAC name of 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid (CID 117201234) is 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid.
What is the SMILES notation for 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid?
The canonical SMILES for 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid is CCN1c2ccc(F)cc2CC1C(C)C(=O)O.
What is the InChIKey of 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid?
The InChIKey is MXDQXFCFOWUASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-15-11-5-4-10(14)6-9(11)7-12(15)8(2)13(16)17/h4-6,8,12H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid?
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid is sourced from PubChem (CID 117201234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).