2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid

C13H14N2O3 — CID 110834916

IUPAC2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C13H14N2O3/c1-14(8-12(16)17)13(18)11-7-9-5-3-4-6-10(9)15(11)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeySGDYUKARBOMSNR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.33
Rot. Bonds3

About 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid

2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid (PubChem CID 110834916) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
PubChem CID110834916
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C13H14N2O3/c1-14(8-12(16)17)13(18)11-7-9-5-3-4-6-10(9)15(11)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeySGDYUKARBOMSNR-UHFFFAOYSA-N
XLogP1.33
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 119194680
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide
CID 159217306
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,1-dimethylindole-2-carboxamide
CID 56758140
N,1-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154884787
N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
CID 55871435
(E)-3-(dimethylamino)-1-(1-methylindol-2-yl)prop-2-en-1-one
CID 71668672
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-1-methylindole-2-carboxamide
CID 51093220
N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide
CID 44588240
N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
CID 47445560
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide
CID 101441409

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid (CID 110834916) is 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The InChIKey is SGDYUKARBOMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14(8-12(16)17)13(18)11-7-9-5-3-4-6-10(9)15(11)2/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid?
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 110834916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).