2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

C15H17FN2O4 — CID 119189734

IUPAC2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O4/c1-22-5-4-18(9-15(20)21)14(19)6-10-8-17-13-7-11(16)2-3-12(10)13/h2-3,7-8,17H,4-6,9H2,1H3,(H,20,21)
InChIKeyPTHOHXCBOOLTFD-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.41
Rot. Bonds7

About 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189734) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189734
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O4/c1-22-5-4-18(9-15(20)21)14(19)6-10-8-17-13-7-11(16)2-3-12(10)13/h2-3,7-8,17H,4-6,9H2,1H3,(H,20,21)
InChIKeyPTHOHXCBOOLTFD-UHFFFAOYSA-N
XLogP1.41
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
N-(cyanomethyl)-2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 136557680
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide
CID 42772522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 119189734) is 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is PTHOHXCBOOLTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-22-5-4-18(9-15(20)21)14(19)6-10-8-17-13-7-11(16)2-3-12(10)13/h2-3,7-8,17H,4-6,9H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 308.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).