2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid

C12H14N2O3 — CID 114993843

IUPAC2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid
SMILESCc1cc(C)c2c(c1)NC(=O)C2NCC(=O)O
InChIInChI=1S/C12H14N2O3/c1-6-3-7(2)10-8(4-6)14-12(17)11(10)13-5-9(15)16/h3-4,11,13H,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLHIKMZBVVHBHSL-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.97
Rot. Bonds3

About 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid

2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid (PubChem CID 114993843) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid
PubChem CID114993843
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid
SMILESCc1cc(C)c2c(c1)NC(=O)C2NCC(=O)O
InChIInChI=1S/C12H14N2O3/c1-6-3-7(2)10-8(4-6)14-12(17)11(10)13-5-9(15)16/h3-4,11,13H,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLHIKMZBVVHBHSL-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid (CID 114993843) is 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid is Cc1cc(C)c2c(c1)NC(=O)C2NCC(=O)O.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid?
The InChIKey is LHIKMZBVVHBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-6-3-7(2)10-8(4-6)14-12(17)11(10)13-5-9(15)16/h3-4,11,13H,5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid?
2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetic acid is sourced from PubChem (CID 114993843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).