ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate

C13H15ClN2O2 — CID 115073226

IUPACethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O2/c1-3-18-13(17)12(15)10-7-16(2)11-5-4-8(14)6-9(10)11/h4-7,12H,3,15H2,1-2H3
InChIKeyPEHIRFJGFWMPSL-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.39
Rot. Bonds3

About ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate

ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate (PubChem CID 115073226) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
PubChem CID115073226
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C)c2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2O2/c1-3-18-13(17)12(15)10-7-16(2)11-5-4-8(14)6-9(10)11/h4-7,12H,3,15H2,1-2H3
InChIKeyPEHIRFJGFWMPSL-UHFFFAOYSA-N
XLogP2.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
CID 115073244
3-(5-chloro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 133108300
4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
CID 167530599
ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
CID 115073241
1-(5-chloro-1-methylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82499412
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate (CID 115073226) is ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate is CCOC(=O)C(N)c1cn(C)c2ccc(Cl)cc12.
What is the InChIKey of ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate?
The InChIKey is PEHIRFJGFWMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-18-13(17)12(15)10-7-16(2)11-5-4-8(14)6-9(10)11/h4-7,12H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate?
ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate has a molecular weight of 266.73 g/mol, XLogP of 2.39, 3 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-chloro-1-methylindol-3-yl)acetate is sourced from PubChem (CID 115073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).