methyl 3-(2-methoxyanilino)-2-methylpropanoate

C12H17NO3 — CID 43538383

IUPACmethyl 3-(2-methoxyanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccccc1OC
InChIInChI=1S/C12H17NO3/c1-9(12(14)16-3)8-13-10-6-4-5-7-11(10)15-2/h4-7,9,13H,8H2,1-3H3
InChIKeyZKIUEKADZNEFSU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-(2-methoxyanilino)-2-methylpropanoate

methyl 3-(2-methoxyanilino)-2-methylpropanoate (PubChem CID 43538383) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-(2-methoxyanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyanilino)-2-methylpropanoate
PubChem CID43538383
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-(2-methoxyanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1ccccc1OC
InChIInChI=1S/C12H17NO3/c1-9(12(14)16-3)8-13-10-6-4-5-7-11(10)15-2/h4-7,9,13H,8H2,1-3H3
InChIKeyZKIUEKADZNEFSU-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-dimethylanilino)-2-methylpropanoate
CID 43538570
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
[(2S)-1-chloro-3-(2-methoxyanilino)propan-2-yl] acetate
CID 131871941
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-methoxyanilino)-2-methylpropanoate (CID 43538383) is methyl 3-(2-methoxyanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-methoxyanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-methoxyanilino)-2-methylpropanoate is COC(=O)C(C)CNc1ccccc1OC.
What is the InChIKey of methyl 3-(2-methoxyanilino)-2-methylpropanoate?
The InChIKey is ZKIUEKADZNEFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(12(14)16-3)8-13-10-6-4-5-7-11(10)15-2/h4-7,9,13H,8H2,1-3H3.
What are the key properties of methyl 3-(2-methoxyanilino)-2-methylpropanoate?
methyl 3-(2-methoxyanilino)-2-methylpropanoate has a molecular weight of 223.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyanilino)-2-methylpropanoate is sourced from PubChem (CID 43538383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).