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

C15H21FN2O2 — CID 103501927

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C15H21FN2O2/c1-10(2)17-13(15(19)20)6-8-18-7-5-11-3-4-12(16)9-14(11)18/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,19,20)
InChIKeySOOZHZFPHZYCRV-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.03
Rot. Bonds6

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

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid (PubChem CID 103501927) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
PubChem CID103501927
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCN1CCc2ccc(F)cc21)C(=O)O
InChIInChI=1S/C15H21FN2O2/c1-10(2)17-13(15(19)20)6-8-18-7-5-11-3-4-12(16)9-14(11)18/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,19,20)
InChIKeySOOZHZFPHZYCRV-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid (CID 103501927) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid is CC(C)NC(CCN1CCc2ccc(F)cc21)C(=O)O.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The InChIKey is SOOZHZFPHZYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(2)17-13(15(19)20)6-8-18-7-5-11-3-4-12(16)9-14(11)18/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid has a molecular weight of 280.34 g/mol, XLogP of 2.03, 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-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 103501927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).