ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate

C13H15BrN2O2 — CID 115073311

IUPACethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C)c2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O2/c1-3-18-13(17)11(15)9-7-16(2)12-8(9)5-4-6-10(12)14/h4-7,11H,3,15H2,1-2H3
InChIKeyHVMRXGVBBQEZKH-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.50
Rot. Bonds3

About ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate

ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate (PubChem CID 115073311) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
PubChem CID115073311
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Nameethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(N)c1cn(C)c2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O2/c1-3-18-13(17)11(15)9-7-16(2)12-8(9)5-4-6-10(12)14/h4-7,11H,3,15H2,1-2H3
InChIKeyHVMRXGVBBQEZKH-UHFFFAOYSA-N
XLogP2.50
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
CID 121230185
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 4-[7-bromo-1-(4-ethoxy-4-oxobutyl)indol-3-yl]butanoate
CID 66738975
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl 2-(2,3-dibromophenyl)propanoate
CID 141245213
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?
The IUPAC name of ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate (CID 115073311) is ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate is CCOC(=O)C(N)c1cn(C)c2c(Br)cccc12.
What is the InChIKey of ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?
The InChIKey is HVMRXGVBBQEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-18-13(17)11(15)9-7-16(2)12-8(9)5-4-6-10(12)14/h4-7,11H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?
ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate has a molecular weight of 311.18 g/mol, XLogP of 2.50, 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-(7-bromo-1-methylindol-3-yl)acetate is sourced from PubChem (CID 115073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).