2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid

C12H13FN2O2 — CID 115073448

IUPAC2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C12H13FN2O2/c1-2-15-6-9(11(14)12(16)17)8-4-3-7(13)5-10(8)15/h3-6,11H,2,14H2,1H3,(H,16,17)
InChIKeyGPWCCXAZBFKLKT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.88
Rot. Bonds3

About 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid

2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid (PubChem CID 115073448) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
PubChem CID115073448
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
SMILESCCn1cc(C(N)C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C12H13FN2O2/c1-2-15-6-9(11(14)12(16)17)8-4-3-7(13)5-10(8)15/h3-6,11H,2,14H2,1H3,(H,16,17)
InChIKeyGPWCCXAZBFKLKT-UHFFFAOYSA-N
XLogP1.88
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid (CID 115073448) is 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid is CCn1cc(C(N)C(=O)O)c2ccc(F)cc21.
What is the InChIKey of 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid?
The InChIKey is GPWCCXAZBFKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-15-6-9(11(14)12(16)17)8-4-3-7(13)5-10(8)15/h3-6,11H,2,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid?
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid has a molecular weight of 236.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid is sourced from PubChem (CID 115073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).