2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid

C12H13BrN2O2 — CID 115072292

IUPAC2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2ccc(Br)cc21
InChIInChI=1S/C12H13BrN2O2/c1-2-15-9-6-8(13)4-3-7(9)5-10(15)11(14)12(16)17/h3-6,11H,2,14H2,1H3,(H,16,17)
InChIKeyUJDROIGCMRZATI-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.51
Rot. Bonds3

About 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid

2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid (PubChem CID 115072292) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
PubChem CID115072292
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2ccc(Br)cc21
InChIInChI=1S/C12H13BrN2O2/c1-2-15-9-6-8(13)4-3-7(9)5-10(15)11(14)12(16)17/h3-6,11H,2,14H2,1H3,(H,16,17)
InChIKeyUJDROIGCMRZATI-UHFFFAOYSA-N
XLogP2.51
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
CID 115072472
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
1-(1-ethyl-6-methylindol-2-yl)ethanamine
CID 117122696
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
(7-bromo-2-oxoquinolin-1-yl)methyl acetate
CID 141275996
6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117180580
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
6-bromo-2-(2-ethoxy-2-oxoethyl)indole-1-carboxylic acid
CID 170350589
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid (CID 115072292) is 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid is CCn1c(C(N)C(=O)O)cc2ccc(Br)cc21.
What is the InChIKey of 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid?
The InChIKey is UJDROIGCMRZATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-2-15-9-6-8(13)4-3-7(9)5-10(15)11(14)12(16)17/h3-6,11H,2,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid?
2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid has a molecular weight of 297.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid is sourced from PubChem (CID 115072292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).