ethyl 2-formamidopropanoate

C6H11NO3 — CID 13195129

IUPACethyl 2-formamidopropanoate
SMILESCCOC(=O)C(C)NC=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)5(2)7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyLWYAOXMPTVOERN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.32
Rot. Bonds4

About ethyl 2-formamidopropanoate

ethyl 2-formamidopropanoate (PubChem CID 13195129) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-formamidopropanoate.

Molecular Properties

Compound Nameethyl 2-formamidopropanoate
PubChem CID13195129
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 2-formamidopropanoate
SMILESCCOC(=O)C(C)NC=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)5(2)7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyLWYAOXMPTVOERN-UHFFFAOYSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.32
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 ethyl 2-formamidopropanoate?
The IUPAC name of ethyl 2-formamidopropanoate (CID 13195129) is ethyl 2-formamidopropanoate.
What is the SMILES notation for ethyl 2-formamidopropanoate?
The canonical SMILES for ethyl 2-formamidopropanoate is CCOC(=O)C(C)NC=O.
What is the InChIKey of ethyl 2-formamidopropanoate?
The InChIKey is LWYAOXMPTVOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(9)5(2)7-4-8/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of ethyl 2-formamidopropanoate?
ethyl 2-formamidopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamidopropanoate is sourced from PubChem (CID 13195129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).