(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate

C14H23NO6 — CID 20643769

IUPAC(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate
SMILESC=CC(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H23NO6/c1-5-12(17)20-9-7-11(16)15-8-6-13(18)21-14(2,3)10-19-4/h5H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyIAACONYSJYVPAX-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.58
Rot. Bonds10

About (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate

(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate (PubChem CID 20643769) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate.

Molecular Properties

Compound Name(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate
PubChem CID20643769
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate
SMILESC=CC(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H23NO6/c1-5-12(17)20-9-7-11(16)15-8-6-13(18)21-14(2,3)10-19-4/h5H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyIAACONYSJYVPAX-UHFFFAOYSA-N
XLogP0.58
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)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 (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The IUPAC name of (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate (CID 20643769) is (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate.
What is the SMILES notation for (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The canonical SMILES for (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate is C=CC(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC.
What is the InChIKey of (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The InChIKey is IAACONYSJYVPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-12(17)20-9-7-11(16)15-8-6-13(18)21-14(2,3)10-19-4/h5H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
(1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate has a molecular weight of 301.34 g/mol, XLogP of 0.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate is sourced from PubChem (CID 20643769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).