4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid

C16H23FN2O2 — CID 103501908

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C16H23FN2O2/c1-11(2)18-16(3,15(20)21)7-9-19-8-6-12-4-5-13(17)10-14(12)19/h4-5,10-11,18H,6-9H2,1-3H3,(H,20,21)
InChIKeyKWPFWSWRIUUFDH-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.42
Rot. Bonds6

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid (PubChem CID 103501908) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
PubChem CID103501908
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C16H23FN2O2/c1-11(2)18-16(3,15(20)21)7-9-19-8-6-12-4-5-13(17)10-14(12)19/h4-5,10-11,18H,6-9H2,1-3H3,(H,20,21)
InChIKeyKWPFWSWRIUUFDH-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
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
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid (CID 103501908) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid is CC(C)NC(C)(CCN1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The InChIKey is KWPFWSWRIUUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)18-16(3,15(20)21)7-9-19-8-6-12-4-5-13(17)10-14(12)19/h4-5,10-11,18H,6-9H2,1-3H3,(H,20,21).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid has a molecular weight of 294.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 103501908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).