2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid

C14H17BrN2O3 — CID 65067250

IUPAC2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O3/c1-20-5-4-17(9-14(18)19)8-10-7-16-13-3-2-11(15)6-12(10)13/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyGSDMDADHOZVCBP-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.46
Rot. Bonds7

About 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid

2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067250) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067250
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O3/c1-20-5-4-17(9-14(18)19)8-10-7-16-13-3-2-11(15)6-12(10)13/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyGSDMDADHOZVCBP-UHFFFAOYSA-N
XLogP2.46
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
CID 79038153
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
CID 167917208
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
3-amino-4-(5-bromo-1H-indol-3-yl)butan-2-one;ethane
CID 171065115
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid (CID 65067250) is 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GSDMDADHOZVCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-20-5-4-17(9-14(18)19)8-10-7-16-13-3-2-11(15)6-12(10)13/h2-3,6-7,16H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1H-indol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).