methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate

C13H15NO4 — CID 169466032

IUPACmethyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(C=CCNC(C)=O)c1
InChIInChI=1S/C13H15NO4/c1-9(15)14-7-3-4-10-8-11(13(17)18-2)5-6-12(10)16/h3-6,8,16H,7H2,1-2H3,(H,14,15)
InChIKeyGCCWFQNWHWRJBM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.33
Rot. Bonds4

About methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate

methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate (PubChem CID 169466032) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
PubChem CID169466032
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(C=CCNC(C)=O)c1
InChIInChI=1S/C13H15NO4/c1-9(15)14-7-3-4-10-8-11(13(17)18-2)5-6-12(10)16/h3-6,8,16H,7H2,1-2H3,(H,14,15)
InChIKeyGCCWFQNWHWRJBM-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
CID 169465993
methyl 4-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468079
methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169472193
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
methyl 4-hydroxy-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoate
CID 170491041
methyl 4-(3-bromoprop-1-enyl)-3-hydroxybenzoate
CID 169476533
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
(2-hydroxy-5-methoxycarbonylphenyl)methylideneoxidanium
CID 154540125
methyl 4-hydroxy-3-(2-hydroxyethyliminomethyl)benzoate
CID 172566365
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate?
The IUPAC name of methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate (CID 169466032) is methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate?
The canonical SMILES for methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate is COC(=O)c1ccc(O)c(C=CCNC(C)=O)c1.
What is the InChIKey of methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate?
The InChIKey is GCCWFQNWHWRJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(15)14-7-3-4-10-8-11(13(17)18-2)5-6-12(10)16/h3-6,8,16H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate?
methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate has a molecular weight of 249.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate is sourced from PubChem (CID 169466032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).