methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate

C11H14N2O3 — CID 106760603

IUPACmethyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C11H14N2O3/c1-13(2)9-7-5-4-6-8(9)12-10(14)11(15)16-3/h4-7H,1-3H3,(H,12,14)
InChIKeyCVTVKIRFPDIXRY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.86
Rot. Bonds2

About methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate

methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate (PubChem CID 106760603) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
PubChem CID106760603
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C11H14N2O3/c1-13(2)9-7-5-4-6-8(9)12-10(14)11(15)16-3/h4-7H,1-3H3,(H,12,14)
InChIKeyCVTVKIRFPDIXRY-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028880
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
(E)-4-[2-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 60940677
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate (CID 106760603) is methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate is COC(=O)C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate?
The InChIKey is CVTVKIRFPDIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(2)9-7-5-4-6-8(9)12-10(14)11(15)16-3/h4-7H,1-3H3,(H,12,14).
What are the key properties of methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate?
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate has a molecular weight of 222.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate is sourced from PubChem (CID 106760603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).