3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid

C15H17ClN2O3 — CID 119227900

IUPAC3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-10(15(20)21)8-17(2)14(19)9-18-6-5-11-3-4-12(16)7-13(11)18/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyNQUSANUPVASILX-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.47
Rot. Bonds5

About 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119227900) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119227900
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O
InChIInChI=1S/C15H17ClN2O3/c1-10(15(20)21)8-17(2)14(19)9-18-6-5-11-3-4-12(16)7-13(11)18/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyNQUSANUPVASILX-UHFFFAOYSA-N
XLogP2.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloroindol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 55997834
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
N-ethyl-2-(6-fluoroindol-1-yl)-N-methylacetamide
CID 116619982
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 119227900) is 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O.
What is the InChIKey of 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NQUSANUPVASILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-10(15(20)21)8-17(2)14(19)9-18-6-5-11-3-4-12(16)7-13(11)18/h3-7,10H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 308.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119227900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).