methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate

C13H15NO4 — CID 139781514

IUPACmethyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate
SMILESC=C(C)C(=O)N(c1ccccc1)C(O)C(=O)OC
InChIInChI=1S/C13H15NO4/c1-9(2)11(15)14(12(16)13(17)18-3)10-7-5-4-6-8-10/h4-8,12,16H,1H2,2-3H3
InChIKeyUBWSANRXWANYJQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate

methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate (PubChem CID 139781514) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate
PubChem CID139781514
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate
SMILESC=C(C)C(=O)N(c1ccccc1)C(O)C(=O)OC
InChIInChI=1S/C13H15NO4/c1-9(2)11(15)14(12(16)13(17)18-3)10-7-5-4-6-8-10/h4-8,12,16H,1H2,2-3H3
InChIKeyUBWSANRXWANYJQ-UHFFFAOYSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
CID 89087492
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(2-methylprop-2-enoyl)amino]propanoate
CID 70526140
CID 23051838
CID 23051838
methyl 2-(N-aminoanilino)propanoate
CID 11159863
methyl (2S)-2-(N-propanoylanilino)butanoate
CID 95626471
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
(3S)-3-amino-4-(N-[(2S)-1-methoxy-1-oxopropan-2-yl]anilino)-4-oxobutanoic acid
CID 18610669
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
methyl 4-[methyl(2-methylprop-2-enoyl)amino]benzoate
CID 25138779

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate?
The IUPAC name of methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate (CID 139781514) is methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate is C=C(C)C(=O)N(c1ccccc1)C(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate?
The InChIKey is UBWSANRXWANYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(2)11(15)14(12(16)13(17)18-3)10-7-5-4-6-8-10/h4-8,12,16H,1H2,2-3H3.
What are the key properties of methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate?
methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate has a molecular weight of 249.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[N-(2-methylprop-2-enoyl)anilino]acetate is sourced from PubChem (CID 139781514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).