methyl 3-(2,3-dimethylanilino)-2-methylpropanoate

C13H19NO2 — CID 43538570

IUPACmethyl 3-(2,3-dimethylanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-6-5-7-12(11(9)3)14-8-10(2)13(15)16-4/h5-7,10,14H,8H2,1-4H3
InChIKeyRICUVEZTUASASW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds4

About methyl 3-(2,3-dimethylanilino)-2-methylpropanoate

methyl 3-(2,3-dimethylanilino)-2-methylpropanoate (PubChem CID 43538570) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-(2,3-dimethylanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dimethylanilino)-2-methylpropanoate
PubChem CID43538570
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-(2,3-dimethylanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-6-5-7-12(11(9)3)14-8-10(2)13(15)16-4/h5-7,10,14H,8H2,1-4H3
InChIKeyRICUVEZTUASASW-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 944009
methyl 2-acetamido-3-(2-cyano-3-methylanilino)propanoate
CID 107799403
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
methyl 3-(2,3-dimethylanilino)butanoate
CID 43536788
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dimethylanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2,3-dimethylanilino)-2-methylpropanoate (CID 43538570) is methyl 3-(2,3-dimethylanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,3-dimethylanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,3-dimethylanilino)-2-methylpropanoate is COC(=O)C(C)CNc1cccc(C)c1C.
What is the InChIKey of methyl 3-(2,3-dimethylanilino)-2-methylpropanoate?
The InChIKey is RICUVEZTUASASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-5-7-12(11(9)3)14-8-10(2)13(15)16-4/h5-7,10,14H,8H2,1-4H3.
What are the key properties of methyl 3-(2,3-dimethylanilino)-2-methylpropanoate?
methyl 3-(2,3-dimethylanilino)-2-methylpropanoate has a molecular weight of 221.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dimethylanilino)-2-methylpropanoate is sourced from PubChem (CID 43538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).