ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate

C15H19FN2O2 — CID 115073241

IUPACethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2O2/c1-4-20-15(19)14(17)12-8-18(9(2)3)13-6-5-10(16)7-11(12)13/h5-9,14H,4,17H2,1-3H3
InChIKeyRCWUHIPLXZFFRL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate

ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate (PubChem CID 115073241) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
PubChem CID115073241
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2O2/c1-4-20-15(19)14(17)12-8-18(9(2)3)13-6-5-10(16)7-11(12)13/h5-9,14H,4,17H2,1-3H3
InChIKeyRCWUHIPLXZFFRL-UHFFFAOYSA-N
XLogP2.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
CID 115073283
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
CID 117121050
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
CID 10968558
N-(difluoromethoxy)-5-fluoro-1-propan-2-ylindole-3-carboxamide
CID 88593106
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
CID 117121037
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
CID 145343643
ethyl 2-(6-fluoronaphthalen-1-yl)propanoate
CID 58093591
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate (CID 115073241) is ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate is CCOC(=O)C(N)c1cn(C(C)C)c2ccc(F)cc12.
What is the InChIKey of ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate?
The InChIKey is RCWUHIPLXZFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-20-15(19)14(17)12-8-18(9(2)3)13-6-5-10(16)7-11(12)13/h5-9,14H,4,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate?
ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate has a molecular weight of 278.33 g/mol, XLogP of 2.92, 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-(5-fluoro-1-propan-2-ylindol-3-yl)acetate is sourced from PubChem (CID 115073241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).