ethyl 2-acetamidopropanoate

C7H13NO3 — CID 11008202

IUPACethyl 2-acetamidopropanoate
SMILESCCOC(=O)C(C)NC(C)=O
InChIInChI=1S/C7H13NO3/c1-4-11-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBFNYDDPQMKYKKJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds3

About ethyl 2-acetamidopropanoate

ethyl 2-acetamidopropanoate (PubChem CID 11008202) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-acetamidopropanoate.

Molecular Properties

Compound Nameethyl 2-acetamidopropanoate
PubChem CID11008202
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-acetamidopropanoate
SMILESCCOC(=O)C(C)NC(C)=O
InChIInChI=1S/C7H13NO3/c1-4-11-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBFNYDDPQMKYKKJ-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamidopropanoate?
The IUPAC name of ethyl 2-acetamidopropanoate (CID 11008202) is ethyl 2-acetamidopropanoate.
What is the SMILES notation for ethyl 2-acetamidopropanoate?
The canonical SMILES for ethyl 2-acetamidopropanoate is CCOC(=O)C(C)NC(C)=O.
What is the InChIKey of ethyl 2-acetamidopropanoate?
The InChIKey is BFNYDDPQMKYKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-11-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of ethyl 2-acetamidopropanoate?
ethyl 2-acetamidopropanoate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamidopropanoate is sourced from PubChem (CID 11008202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).