2-oxo-2-(N,3,5-trimethylanilino)acetic acid

C11H13NO3 — CID 62001578

IUPAC2-oxo-2-(N,3,5-trimethylanilino)acetic acid
SMILESCc1cc(C)cc(N(C)C(=O)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-7-4-8(2)6-9(5-7)12(3)10(13)11(14)15/h4-6H,1-3H3,(H,14,15)
InChIKeyDLCQWQUEXDNBBX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.35
Rot. Bonds1

About 2-oxo-2-(N,3,5-trimethylanilino)acetic acid

2-oxo-2-(N,3,5-trimethylanilino)acetic acid (PubChem CID 62001578) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-oxo-2-(N,3,5-trimethylanilino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(N,3,5-trimethylanilino)acetic acid
PubChem CID62001578
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-oxo-2-(N,3,5-trimethylanilino)acetic acid
SMILESCc1cc(C)cc(N(C)C(=O)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-7-4-8(2)6-9(5-7)12(3)10(13)11(14)15/h4-6H,1-3H3,(H,14,15)
InChIKeyDLCQWQUEXDNBBX-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(N,3,5-trimethyl-4-sulfanylanilino)acetic acid
CID 4713231
N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 62003274
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
CID 107027681
2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
CID 107905090
(E)-3-(4-cyanophenyl)-N-(3,5-dimethylphenyl)-2-[formyl(methyl)amino]-N-methylprop-2-enamide
CID 143246970
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
N-(3,5-dimethylphenyl)-N-methylethanimidamide
CID 63173252
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(N,3,5-trimethylanilino)acetic acid?
The IUPAC name of 2-oxo-2-(N,3,5-trimethylanilino)acetic acid (CID 62001578) is 2-oxo-2-(N,3,5-trimethylanilino)acetic acid.
What is the SMILES notation for 2-oxo-2-(N,3,5-trimethylanilino)acetic acid?
The canonical SMILES for 2-oxo-2-(N,3,5-trimethylanilino)acetic acid is Cc1cc(C)cc(N(C)C(=O)C(=O)O)c1.
What is the InChIKey of 2-oxo-2-(N,3,5-trimethylanilino)acetic acid?
The InChIKey is DLCQWQUEXDNBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-8(2)6-9(5-7)12(3)10(13)11(14)15/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-oxo-2-(N,3,5-trimethylanilino)acetic acid?
2-oxo-2-(N,3,5-trimethylanilino)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(N,3,5-trimethylanilino)acetic acid is sourced from PubChem (CID 62001578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).