methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate

C13H18N2O4 — CID 113436467

IUPACmethyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-5-10(7-11)14-8-13(2,18)12(17)19-3/h4-7,14,18H,8H2,1-3H3,(H,15,16)
InChIKeyFIERRGASHVRVPH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.98
Rot. Bonds5

About methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate

methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate (PubChem CID 113436467) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate
PubChem CID113436467
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-5-10(7-11)14-8-13(2,18)12(17)19-3/h4-7,14,18H,8H2,1-3H3,(H,15,16)
InChIKeyFIERRGASHVRVPH-UHFFFAOYSA-N
XLogP0.98
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-3-(3-iodoanilino)-2-methylpropanoate
CID 104643876
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
methyl 3-(3,4-diethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643707
methyl 2-hydroxy-2-methyl-3-[4-methyl-3-(trifluoromethyl)anilino]propanoate
CID 104644261
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204
methyl (E)-4-(3-acetamidoanilino)-2-methylbut-2-enoate
CID 103233920
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
N-(3-methylphenyl)acetamide
CID 10843
N-(3-acetamidophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959754
N-[3-(methoxyamino)phenyl]acetamide;toluene
CID 163614095
butyl 2-(3-acetamidoanilino)acetate
CID 54917754

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate (CID 113436467) is methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CNc1cccc(NC(C)=O)c1.
What is the InChIKey of methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate?
The InChIKey is FIERRGASHVRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)15-11-6-4-5-10(7-11)14-8-13(2,18)12(17)19-3/h4-7,14,18H,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate?
methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate has a molecular weight of 266.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-acetamidoanilino)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 113436467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).