tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate

C13H19NO4 — CID 10634630

IUPACtert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate
SMILESC=CCN1C(=O)OC[C@@H]1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-5-8-14-10(9-17-12(14)16)6-7-11(15)18-13(2,3)4/h5-7,10H,1,8-9H2,2-4H3/b7-6+/t10-/m0/s1
InChIKeyFRNMDOCOCAVSBH-FGEFZZPRSA-N
MW253.30 g/mol
LogP1.89
Rot. Bonds4

About tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate

tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate (PubChem CID 10634630) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate
PubChem CID10634630
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate
SMILESC=CCN1C(=O)OC[C@@H]1/C=C/C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-5-8-14-10(9-17-12(14)16)6-7-11(15)18-13(2,3)4/h5-7,10H,1,8-9H2,2-4H3/b7-6+/t10-/m0/s1
InChIKeyFRNMDOCOCAVSBH-FGEFZZPRSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate (CID 10634630) is tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate is C=CCN1C(=O)OC[C@@H]1/C=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate?
The InChIKey is FRNMDOCOCAVSBH-FGEFZZPRSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-8-14-10(9-17-12(14)16)6-7-11(15)18-13(2,3)4/h5-7,10H,1,8-9H2,2-4H3/b7-6+/t10-/m0/s1.
What are the key properties of tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate?
tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate has a molecular weight of 253.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[(4S)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-4-yl]prop-2-enoate is sourced from PubChem (CID 10634630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).