ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate

C15H19NO4 — CID 10956795

IUPACethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H19NO4/c1-3-8-13(14(17)19-4-2)16-15(18)20-11-12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H,16,18)
InChIKeyFGFYTCAOAOPXSI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.42
Rot. Bonds7

About ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate

ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate (PubChem CID 10956795) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate
PubChem CID10956795
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CCC(NC(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H19NO4/c1-3-8-13(14(17)19-4-2)16-15(18)20-11-12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H,16,18)
InChIKeyFGFYTCAOAOPXSI-UHFFFAOYSA-N
XLogP2.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.42
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 ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate?
The IUPAC name of ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate (CID 10956795) is ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate?
The canonical SMILES for ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate is C=CCC(NC(=O)OCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate?
The InChIKey is FGFYTCAOAOPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-8-13(14(17)19-4-2)16-15(18)20-11-12-9-6-5-7-10-12/h3,5-7,9-10,13H,1,4,8,11H2,2H3,(H,16,18).
What are the key properties of ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate?
ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylmethoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 10956795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).