ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate

C11H13NO6 — CID 88998063

IUPACethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(=O)c(O)co1
InChIInChI=1S/C11H13NO6/c1-2-17-10(15)3-4-12-11(16)9-5-7(13)8(14)6-18-9/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyRBOHGQILKOWYNH-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.03
Rot. Bonds5

About ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate

ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate (PubChem CID 88998063) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate
PubChem CID88998063
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Nameethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(=O)c(O)co1
InChIInChI=1S/C11H13NO6/c1-2-17-10(15)3-4-12-11(16)9-5-7(13)8(14)6-18-9/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyRBOHGQILKOWYNH-UHFFFAOYSA-N
XLogP0.03
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate (CID 88998063) is ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1cc(=O)c(O)co1.
What is the InChIKey of ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate?
The InChIKey is RBOHGQILKOWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-2-17-10(15)3-4-12-11(16)9-5-7(13)8(14)6-18-9/h5-6,14H,2-4H2,1H3,(H,12,16).
What are the key properties of ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate?
ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 88998063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).