methyl 2-(2-cyano-3-methylanilino)acetate

C11H12N2O2 — CID 107799414

IUPACmethyl 2-(2-cyano-3-methylanilino)acetate
SMILESCOC(=O)CNc1cccc(C)c1C#N
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-10(9(8)6-12)13-7-11(14)15-2/h3-5,13H,7H2,1-2H3
InChIKeyLMLLMAZENSQWBU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-(2-cyano-3-methylanilino)acetate

methyl 2-(2-cyano-3-methylanilino)acetate (PubChem CID 107799414) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-(2-cyano-3-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-3-methylanilino)acetate
PubChem CID107799414
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-(2-cyano-3-methylanilino)acetate
SMILESCOC(=O)CNc1cccc(C)c1C#N
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-10(9(8)6-12)13-7-11(14)15-2/h3-5,13H,7H2,1-2H3
InChIKeyLMLLMAZENSQWBU-UHFFFAOYSA-N
XLogP1.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[(2-cyano-3-methylanilino)methyl]thiophen-2-yl]acetate
CID 107803587
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
CID 107804495
3-(2-cyano-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 107799451
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
tert-butyl N-[2-(2-cyano-3-methylanilino)ethyl]carbamate
CID 107803681
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804329
methyl 2-acetamido-3-(2-cyano-3-methylanilino)propanoate
CID 107799403
tert-butyl 2-(2-cyano-3-fluoroanilino)acetate
CID 60824669

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-3-methylanilino)acetate?
The IUPAC name of methyl 2-(2-cyano-3-methylanilino)acetate (CID 107799414) is methyl 2-(2-cyano-3-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2-cyano-3-methylanilino)acetate?
The canonical SMILES for methyl 2-(2-cyano-3-methylanilino)acetate is COC(=O)CNc1cccc(C)c1C#N.
What is the InChIKey of methyl 2-(2-cyano-3-methylanilino)acetate?
The InChIKey is LMLLMAZENSQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-4-3-5-10(9(8)6-12)13-7-11(14)15-2/h3-5,13H,7H2,1-2H3.
What are the key properties of methyl 2-(2-cyano-3-methylanilino)acetate?
methyl 2-(2-cyano-3-methylanilino)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyano-3-methylanilino)acetate is sourced from PubChem (CID 107799414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).