methyl 2-(4-formamidophenyl)propanoate

C11H13NO3 — CID 11356229

IUPACmethyl 2-(4-formamidophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(NC=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)9-3-5-10(6-4-9)12-7-13/h3-8H,1-2H3,(H,12,13)
InChIKeyXHZPJMBHYJPEFA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-(4-formamidophenyl)propanoate

methyl 2-(4-formamidophenyl)propanoate (PubChem CID 11356229) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(4-formamidophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-formamidophenyl)propanoate
PubChem CID11356229
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-(4-formamidophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(NC=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)9-3-5-10(6-4-9)12-7-13/h3-8H,1-2H3,(H,12,13)
InChIKeyXHZPJMBHYJPEFA-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
methyl 2-[4-(1-cyano-2-methylpropyl)phenyl]propanoate
CID 134840373
methyl 2-(4-aminophenyl)propanoate
CID 3016109
N-[4-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
CID 168594899
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
CID 125466574
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-formamidophenyl)propanoate?
The IUPAC name of methyl 2-(4-formamidophenyl)propanoate (CID 11356229) is methyl 2-(4-formamidophenyl)propanoate.
What is the SMILES notation for methyl 2-(4-formamidophenyl)propanoate?
The canonical SMILES for methyl 2-(4-formamidophenyl)propanoate is COC(=O)C(C)c1ccc(NC=O)cc1.
What is the InChIKey of methyl 2-(4-formamidophenyl)propanoate?
The InChIKey is XHZPJMBHYJPEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15-2)9-3-5-10(6-4-9)12-7-13/h3-8H,1-2H3,(H,12,13).
What are the key properties of methyl 2-(4-formamidophenyl)propanoate?
methyl 2-(4-formamidophenyl)propanoate has a molecular weight of 207.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-formamidophenyl)propanoate is sourced from PubChem (CID 11356229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).