methyl 2-(2,5-dimethoxyanilino)propanoate

C12H17NO4 — CID 54941046

IUPACmethyl 2-(2,5-dimethoxyanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-8(12(14)17-4)13-10-7-9(15-2)5-6-11(10)16-3/h5-8,13H,1-4H3
InChIKeyWUYBHGWCIHLXAT-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-(2,5-dimethoxyanilino)propanoate

methyl 2-(2,5-dimethoxyanilino)propanoate (PubChem CID 54941046) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxyanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxyanilino)propanoate
PubChem CID54941046
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-(2,5-dimethoxyanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-8(12(14)17-4)13-10-7-9(15-2)5-6-11(10)16-3/h5-8,13H,1-4H3
InChIKeyWUYBHGWCIHLXAT-UHFFFAOYSA-N
XLogP1.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyanilino)-N,N-dimethylpropanamide
CID 43085475
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
methyl 2-(4-methoxy-2-nitroanilino)propanoate
CID 43515163
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
methyl (2S)-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]propanoate
CID 70685313
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxyanilino)propanoate?
The IUPAC name of methyl 2-(2,5-dimethoxyanilino)propanoate (CID 54941046) is methyl 2-(2,5-dimethoxyanilino)propanoate.
What is the SMILES notation for methyl 2-(2,5-dimethoxyanilino)propanoate?
The canonical SMILES for methyl 2-(2,5-dimethoxyanilino)propanoate is COC(=O)C(C)Nc1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxyanilino)propanoate?
The InChIKey is WUYBHGWCIHLXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(12(14)17-4)13-10-7-9(15-2)5-6-11(10)16-3/h5-8,13H,1-4H3.
What are the key properties of methyl 2-(2,5-dimethoxyanilino)propanoate?
methyl 2-(2,5-dimethoxyanilino)propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxyanilino)propanoate is sourced from PubChem (CID 54941046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).