methyl 2-(methoxycarbonylamino)pent-4-enoate

C8H13NO4 — CID 11074136

IUPACmethyl 2-(methoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OC)C(=O)OC
InChIInChI=1S/C8H13NO4/c1-4-5-6(7(10)12-2)9-8(11)13-3/h4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeyZRVJASUWHAAIIM-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-(methoxycarbonylamino)pent-4-enoate

methyl 2-(methoxycarbonylamino)pent-4-enoate (PubChem CID 11074136) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)pent-4-enoate
PubChem CID11074136
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 2-(methoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OC)C(=O)OC
InChIInChI=1S/C8H13NO4/c1-4-5-6(7(10)12-2)9-8(11)13-3/h4,6H,1,5H2,2-3H3,(H,9,11)
InChIKeyZRVJASUWHAAIIM-UHFFFAOYSA-N
XLogP0.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
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-(methoxycarbonylamino)pent-4-enoate?
The IUPAC name of methyl 2-(methoxycarbonylamino)pent-4-enoate (CID 11074136) is methyl 2-(methoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)pent-4-enoate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)pent-4-enoate is C=CCC(NC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-(methoxycarbonylamino)pent-4-enoate?
The InChIKey is ZRVJASUWHAAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-5-6(7(10)12-2)9-8(11)13-3/h4,6H,1,5H2,2-3H3,(H,9,11).
What are the key properties of methyl 2-(methoxycarbonylamino)pent-4-enoate?
methyl 2-(methoxycarbonylamino)pent-4-enoate has a molecular weight of 187.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 11074136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).