methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate

C15H27NO4 — CID 146614826

IUPACmethyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate
SMILESC/C=C(\CC)C(C)(C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-9-11(10-2)15(6,12(17)19-8)16(7)13(18)20-14(3,4)5/h9H,10H2,1-8H3/b11-9+
InChIKeyDGZMZJPDWKTXEP-PKNBQFBNSA-N
MW285.38 g/mol
LogP3.14
Rot. Bonds4

About methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate

methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate (PubChem CID 146614826) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate
PubChem CID146614826
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate
SMILESC/C=C(\CC)C(C)(C(=O)OC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-9-11(10-2)15(6,12(17)19-8)16(7)13(18)20-14(3,4)5/h9H,10H2,1-8H3/b11-9+
InChIKeyDGZMZJPDWKTXEP-PKNBQFBNSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.14
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 (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate?
The IUPAC name of methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate (CID 146614826) is methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate.
What is the SMILES notation for methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate?
The canonical SMILES for methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate is C/C=C(\CC)C(C)(C(=O)OC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate?
The InChIKey is DGZMZJPDWKTXEP-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H27NO4/c1-9-11(10-2)15(6,12(17)19-8)16(7)13(18)20-14(3,4)5/h9H,10H2,1-8H3/b11-9+.
What are the key properties of methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate?
methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate has a molecular weight of 285.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-ethyl-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-3-enoate is sourced from PubChem (CID 146614826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).