benzyl 2-formamidoacetate

C10H11NO3 — CID 560875

IUPACbenzyl 2-formamidoacetate
SMILESO=CNCC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO3/c12-8-11-6-10(13)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
InChIKeyKDACVKTXMGNARO-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.48
Rot. Bonds5

About benzyl 2-formamidoacetate

benzyl 2-formamidoacetate (PubChem CID 560875) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is benzyl 2-formamidoacetate.

Molecular Properties

Compound Namebenzyl 2-formamidoacetate
PubChem CID560875
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namebenzyl 2-formamidoacetate
SMILESO=CNCC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO3/c12-8-11-6-10(13)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
InChIKeyKDACVKTXMGNARO-UHFFFAOYSA-N
XLogP0.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.48
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 benzyl 2-formamidoacetate?
The IUPAC name of benzyl 2-formamidoacetate (CID 560875) is benzyl 2-formamidoacetate.
What is the SMILES notation for benzyl 2-formamidoacetate?
The canonical SMILES for benzyl 2-formamidoacetate is O=CNCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-formamidoacetate?
The InChIKey is KDACVKTXMGNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-11-6-10(13)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12).
What are the key properties of benzyl 2-formamidoacetate?
benzyl 2-formamidoacetate has a molecular weight of 193.20 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-formamidoacetate is sourced from PubChem (CID 560875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).