2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid

C14H19FN2O2 — CID 103501934

IUPAC2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
SMILESCCNC(C)(CN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-3-16-14(2,13(18)19)9-17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeySKJPVCRMDQFYKM-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds5

About 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid

2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid (PubChem CID 103501934) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
PubChem CID103501934
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
SMILESCCNC(C)(CN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-3-16-14(2,13(18)19)9-17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeySKJPVCRMDQFYKM-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol
CID 103503991
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid (CID 103501934) is 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid is CCNC(C)(CN1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid?
The InChIKey is SKJPVCRMDQFYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-16-14(2,13(18)19)9-17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid?
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 103501934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).