3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid

C11H14N2O3 — CID 83822748

IUPAC3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
SMILESCC1(C)CC(=O)c2c([nH]c(C(=O)O)c2N)C1
InChIInChI=1S/C11H14N2O3/c1-11(2)3-5-7(6(14)4-11)8(12)9(13-5)10(15)16/h13H,3-4,12H2,1-2H3,(H,15,16)
InChIKeySEIFDRKFMYFZTK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.45
Rot. Bonds1

About 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid

3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid (PubChem CID 83822748) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
PubChem CID83822748
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
SMILESCC1(C)CC(=O)c2c([nH]c(C(=O)O)c2N)C1
InChIInChI=1S/C11H14N2O3/c1-11(2)3-5-7(6(14)4-11)8(12)9(13-5)10(15)16/h13H,3-4,12H2,1-2H3,(H,15,16)
InChIKeySEIFDRKFMYFZTK-UHFFFAOYSA-N
XLogP1.45
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
CID 34839089
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
CID 84675035
4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
CID 83863517
N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43018595
methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-4-carboxylate
CID 17229006
argon;6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
CID 161286279
3,6,6-trimethyl-2-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-5,7-dihydro-1H-indol-4-one
CID 24515286
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate
CID 156745807
3,6,6-trimethyl-4-oxo-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 31116655
N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43020407

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid (CID 83822748) is 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid is CC1(C)CC(=O)c2c([nH]c(C(=O)O)c2N)C1.
What is the InChIKey of 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is SEIFDRKFMYFZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2)3-5-7(6(14)4-11)8(12)9(13-5)10(15)16/h13H,3-4,12H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid?
3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83822748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).