methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate

C14H25NO4 — CID 141436811

IUPACmethyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate
SMILESC=CCCN(C(=O)OC(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C14H25NO4/c1-8-9-10-15(12(17)19-13(2,3)4)14(5,6)11(16)18-7/h8H,1,9-10H2,2-7H3
InChIKeyOFHGALNYLLFRHN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate

methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate (PubChem CID 141436811) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate
PubChem CID141436811
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate
SMILESC=CCCN(C(=O)OC(C)(C)C)C(C)(C)C(=O)OC
InChIInChI=1S/C14H25NO4/c1-8-9-10-15(12(17)19-13(2,3)4)14(5,6)11(16)18-7/h8H,1,9-10H2,2-7H3
InChIKeyOFHGALNYLLFRHN-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate (CID 141436811) is methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate is C=CCCN(C(=O)OC(C)(C)C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate?
The InChIKey is OFHGALNYLLFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-8-9-10-15(12(17)19-13(2,3)4)14(5,6)11(16)18-7/h8H,1,9-10H2,2-7H3.
What are the key properties of methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate?
methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate has a molecular weight of 271.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 141436811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).