methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate

C13H15ClN2O2 — CID 115072130

IUPACmethyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
SMILESCCn1c(C(N)C(=O)OC)cc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2/c1-3-16-10-5-4-9(14)6-8(10)7-11(16)12(15)13(17)18-2/h4-7,12H,3,15H2,1-2H3
InChIKeyGPHVSMSXIAHRCY-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate

methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate (PubChem CID 115072130) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
PubChem CID115072130
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Namemethyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
SMILESCCn1c(C(N)C(=O)OC)cc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2/c1-3-16-10-5-4-9(14)6-8(10)7-11(16)12(15)13(17)18-2/h4-7,12H,3,15H2,1-2H3
InChIKeyGPHVSMSXIAHRCY-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
CID 115071957
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
methyl 2-(1-acetyl-6-chloroindol-3-yl)-2-aminoacetate
CID 101083900
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
CID 115072151

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate (CID 115072130) is methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate is CCn1c(C(N)C(=O)OC)cc2cc(Cl)ccc21.
What is the InChIKey of methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate?
The InChIKey is GPHVSMSXIAHRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16-10-5-4-9(14)6-8(10)7-11(16)12(15)13(17)18-2/h4-7,12H,3,15H2,1-2H3.
What are the key properties of methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate?
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate has a molecular weight of 266.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate is sourced from PubChem (CID 115072130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).