methyl 2-formamido-2-phenylpropanoate

C11H13NO3 — CID 590541

IUPACmethyl 2-formamido-2-phenylpropanoate
SMILESCOC(=O)C(C)(NC=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-11(12-8-13,10(14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyDMVLPJZFQWXWAU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-formamido-2-phenylpropanoate

methyl 2-formamido-2-phenylpropanoate (PubChem CID 590541) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-formamido-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-formamido-2-phenylpropanoate
PubChem CID590541
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-formamido-2-phenylpropanoate
SMILESCOC(=O)C(C)(NC=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-11(12-8-13,10(14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyDMVLPJZFQWXWAU-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-2-phenylpropanoate?
The IUPAC name of methyl 2-formamido-2-phenylpropanoate (CID 590541) is methyl 2-formamido-2-phenylpropanoate.
What is the SMILES notation for methyl 2-formamido-2-phenylpropanoate?
The canonical SMILES for methyl 2-formamido-2-phenylpropanoate is COC(=O)C(C)(NC=O)c1ccccc1.
What is the InChIKey of methyl 2-formamido-2-phenylpropanoate?
The InChIKey is DMVLPJZFQWXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(12-8-13,10(14)15-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13).
What are the key properties of methyl 2-formamido-2-phenylpropanoate?
methyl 2-formamido-2-phenylpropanoate has a molecular weight of 207.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-2-phenylpropanoate is sourced from PubChem (CID 590541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).