2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid

C13H16N2O3 — CID 116953331

IUPAC2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(C)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-7(13(17)18)12(14-2)8-3-4-10-9(5-8)6-11(16)15-10/h3-5,7,12,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDSLXIKIEIHANPR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid

2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid (PubChem CID 116953331) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
PubChem CID116953331
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C(C)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-7(13(17)18)12(14-2)8-3-4-10-9(5-8)6-11(16)15-10/h3-5,7,12,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDSLXIKIEIHANPR-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid (CID 116953331) is 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid is CNC(c1ccc2c(c1)CC(=O)N2)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
The InChIKey is DSLXIKIEIHANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(13(17)18)12(14-2)8-3-4-10-9(5-8)6-11(16)15-10/h3-5,7,12,14H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid?
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid is sourced from PubChem (CID 116953331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).