methyl 2-(5-acetamido-2-methylanilino)propanoate

C13H18N2O3 — CID 66174130

IUPACmethyl 2-(5-acetamido-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C13H18N2O3/c1-8-5-6-11(15-10(3)16)7-12(8)14-9(2)13(17)18-4/h5-7,9,14H,1-4H3,(H,15,16)
InChIKeyIZSLSXGDIWTRGM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-(5-acetamido-2-methylanilino)propanoate

methyl 2-(5-acetamido-2-methylanilino)propanoate (PubChem CID 66174130) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(5-acetamido-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-acetamido-2-methylanilino)propanoate
PubChem CID66174130
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(5-acetamido-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C13H18N2O3/c1-8-5-6-11(15-10(3)16)7-12(8)14-9(2)13(17)18-4/h5-7,9,14H,1-4H3,(H,15,16)
InChIKeyIZSLSXGDIWTRGM-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-acetamido-4-methylanilino)propanoate
CID 66171717
methyl 2-(5-amino-2-methylanilino)propanoate
CID 62590331
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-acetamido-2-methylanilino)propanoate?
The IUPAC name of methyl 2-(5-acetamido-2-methylanilino)propanoate (CID 66174130) is methyl 2-(5-acetamido-2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(5-acetamido-2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(5-acetamido-2-methylanilino)propanoate is COC(=O)C(C)Nc1cc(NC(C)=O)ccc1C.
What is the InChIKey of methyl 2-(5-acetamido-2-methylanilino)propanoate?
The InChIKey is IZSLSXGDIWTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-6-11(15-10(3)16)7-12(8)14-9(2)13(17)18-4/h5-7,9,14H,1-4H3,(H,15,16).
What are the key properties of methyl 2-(5-acetamido-2-methylanilino)propanoate?
methyl 2-(5-acetamido-2-methylanilino)propanoate has a molecular weight of 250.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-acetamido-2-methylanilino)propanoate is sourced from PubChem (CID 66174130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).