ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate

C14H17FN2O2 — CID 115073283

IUPACethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(CC)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O2/c1-3-17-8-11(13(16)14(18)19-4-2)10-6-5-9(15)7-12(10)17/h5-8,13H,3-4,16H2,1-2H3
InChIKeyISSQHQJQTFHZCD-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.36
Rot. Bonds4

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

ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate (PubChem CID 115073283) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
PubChem CID115073283
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nameethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(CC)c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O2/c1-3-17-8-11(13(16)14(18)19-4-2)10-6-5-9(15)7-12(10)17/h5-8,13H,3-4,16H2,1-2H3
InChIKeyISSQHQJQTFHZCD-UHFFFAOYSA-N
XLogP2.36
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
CID 115073241
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
CID 162765578
(1-ethyl-6-fluoroindol-3-yl)methanethiol
CID 117179129
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
CID 115073244
1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
CID 10682892
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
ethyl 2-(6-fluoronaphthalen-1-yl)propanoate
CID 58093591
ethyl (3R)-3-amino-2-fluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171242699
3-ethyl-6-fluoro-1-pentylindole
CID 143347565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate (CID 115073283) is ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate is CCOC(=O)C(N)c1cn(CC)c2cc(F)ccc12.
What is the InChIKey of ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate?
The InChIKey is ISSQHQJQTFHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-17-8-11(13(16)14(18)19-4-2)10-6-5-9(15)7-12(10)17/h5-8,13H,3-4,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate?
ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate has a molecular weight of 264.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate is sourced from PubChem (CID 115073283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).