methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate

C12H15NO4 — CID 10125222

IUPACmethyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
SMILESCCC(=O)NC(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-3-10(15)13-11(12(16)17-2)8-4-6-9(14)7-5-8/h4-7,11,14H,3H2,1-2H3,(H,13,15)
InChIKeyODSSLZBSOFWMMS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.13
Rot. Bonds4

About methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate

methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate (PubChem CID 10125222) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
PubChem CID10125222
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
SMILESCCC(=O)NC(C(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-3-10(15)13-11(12(16)17-2)8-4-6-9(14)7-5-8/h4-7,11,14H,3H2,1-2H3,(H,13,15)
InChIKeyODSSLZBSOFWMMS-UHFFFAOYSA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate 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 (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855
methyl (2S)-2-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2341928
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate
CID 101086095
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl (2R)-2-[4-(4-hydroxyphenyl)phenyl]butanoate
CID 124565179
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate (CID 10125222) is methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate is CCC(=O)NC(C(=O)OC)c1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate?
The InChIKey is ODSSLZBSOFWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-10(15)13-11(12(16)17-2)8-4-6-9(14)7-5-8/h4-7,11,14H,3H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate?
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate has a molecular weight of 237.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate is sourced from PubChem (CID 10125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).