prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate

C14H23NO5 — CID 59065000

IUPACprop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate
SMILESC=CCOC(=O)C(CCC(C)=O)NC(=O)C(C)COC
InChIInChI=1S/C14H23NO5/c1-5-8-20-14(18)12(7-6-11(3)16)15-13(17)10(2)9-19-4/h5,10,12H,1,6-9H2,2-4H3,(H,15,17)
InChIKeyDBANTJACJUJCHL-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.85
Rot. Bonds10

About prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate

prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate (PubChem CID 59065000) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate
PubChem CID59065000
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameprop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate
SMILESC=CCOC(=O)C(CCC(C)=O)NC(=O)C(C)COC
InChIInChI=1S/C14H23NO5/c1-5-8-20-14(18)12(7-6-11(3)16)15-13(17)10(2)9-19-4/h5,10,12H,1,6-9H2,2-4H3,(H,15,17)
InChIKeyDBANTJACJUJCHL-UHFFFAOYSA-N
XLogP0.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate 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 prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate?
The IUPAC name of prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate (CID 59065000) is prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate.
What is the SMILES notation for prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate?
The canonical SMILES for prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate is C=CCOC(=O)C(CCC(C)=O)NC(=O)C(C)COC.
What is the InChIKey of prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate?
The InChIKey is DBANTJACJUJCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-8-20-14(18)12(7-6-11(3)16)15-13(17)10(2)9-19-4/h5,10,12H,1,6-9H2,2-4H3,(H,15,17).
What are the key properties of prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate?
prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate has a molecular weight of 285.34 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(3-methoxy-2-methylpropanoyl)amino]-5-oxohexanoate is sourced from PubChem (CID 59065000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).