methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate

C14H23NO4 — CID 11108397

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-7-9-11(12(16)18-6)15(10-8-2)13(17)19-14(3,4)5/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyMIXZFUGOECAJFJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.53
Rot. Bonds6

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate (PubChem CID 11108397) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate
PubChem CID11108397
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-7-9-11(12(16)18-6)15(10-8-2)13(17)19-14(3,4)5/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyMIXZFUGOECAJFJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.53
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-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate (CID 11108397) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate is C=CCC(C(=O)OC)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate?
The InChIKey is MIXZFUGOECAJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-7-9-11(12(16)18-6)15(10-8-2)13(17)19-14(3,4)5/h7-8,11H,1-2,9-10H2,3-6H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate has a molecular weight of 269.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pent-4-enoate is sourced from PubChem (CID 11108397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).