2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid

C10H11FN2O2 — CID 83860447

IUPAC2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESNC(C(=O)O)C1CNc2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-3,7,9,13H,4,12H2,(H,14,15)
InChIKeyXVKNMZZKRFBZFA-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.75
Rot. Bonds2

About 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid

2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid (PubChem CID 83860447) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid
PubChem CID83860447
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid
SMILESNC(C(=O)O)C1CNc2ccc(F)cc21
InChIInChI=1S/C10H11FN2O2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-3,7,9,13H,4,12H2,(H,14,15)
InChIKeyXVKNMZZKRFBZFA-UHFFFAOYSA-N
XLogP0.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2,3-dihydro-1H-indol-3-amine
CID 84739506
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 106985960
(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
CID 172766683
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 84669875
6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117202128
2-(6-fluoro-1,2,3,4-tetrahydroquinazolin-4-yl)-2-oxoacetaldehyde
CID 174366506
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
5-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706364

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid (CID 83860447) is 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid is NC(C(=O)O)C1CNc2ccc(F)cc21.
What is the InChIKey of 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid?
The InChIKey is XVKNMZZKRFBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-3,7,9,13H,4,12H2,(H,14,15).
What are the key properties of 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid?
2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid has a molecular weight of 210.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 83860447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).