3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid

C11H13FN2O2 — CID 103494512

IUPAC3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2O2/c12-8-2-1-7-3-4-14(9(7)5-8)10(6-13)11(15)16/h1-2,5,10H,3-4,6,13H2,(H,15,16)
InChIKeyDHABECGIIRQWBK-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.60
Rot. Bonds3

About 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid

3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid (PubChem CID 103494512) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
PubChem CID103494512
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2O2/c12-8-2-1-7-3-4-14(9(7)5-8)10(6-13)11(15)16/h1-2,5,10H,3-4,6,13H2,(H,15,16)
InChIKeyDHABECGIIRQWBK-UHFFFAOYSA-N
XLogP0.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
2-cyclohexyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494523
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494431
2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine
CID 103494475
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494492
2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 106885883
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid (CID 103494512) is 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid is NCC(C(=O)O)N1CCc2ccc(F)cc21.
What is the InChIKey of 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The InChIKey is DHABECGIIRQWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-2-1-7-3-4-14(9(7)5-8)10(6-13)11(15)16/h1-2,5,10H,3-4,6,13H2,(H,15,16).
What are the key properties of 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid has a molecular weight of 224.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid is sourced from PubChem (CID 103494512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).