propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate

C14H15F2NO3 — CID 144942017

IUPACpropyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate
SMILESC=Cc1cc(F)c(F)cc1/C(O)=C(/N)C(=O)OCCC
InChIInChI=1S/C14H15F2NO3/c1-3-5-20-14(19)12(17)13(18)9-7-11(16)10(15)6-8(9)4-2/h4,6-7,18H,2-3,5,17H2,1H3/b13-12-
InChIKeyVOUAZEVBYBSBBK-SEYXRHQNSA-N
MW283.27 g/mol
LogP2.75
Rot. Bonds5

About propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate

propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate (PubChem CID 144942017) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate
PubChem CID144942017
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namepropyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate
SMILESC=Cc1cc(F)c(F)cc1/C(O)=C(/N)C(=O)OCCC
InChIInChI=1S/C14H15F2NO3/c1-3-5-20-14(19)12(17)13(18)9-7-11(16)10(15)6-8(9)4-2/h4,6-7,18H,2-3,5,17H2,1H3/b13-12-
InChIKeyVOUAZEVBYBSBBK-SEYXRHQNSA-N
XLogP2.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate?
The IUPAC name of propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate (CID 144942017) is propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate.
What is the SMILES notation for propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate?
The canonical SMILES for propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate is C=Cc1cc(F)c(F)cc1/C(O)=C(/N)C(=O)OCCC.
What is the InChIKey of propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate?
The InChIKey is VOUAZEVBYBSBBK-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-5-20-14(19)12(17)13(18)9-7-11(16)10(15)6-8(9)4-2/h4,6-7,18H,2-3,5,17H2,1H3/b13-12-.
What are the key properties of propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate?
propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate has a molecular weight of 283.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-2-amino-3-(2-ethenyl-4,5-difluorophenyl)-3-hydroxyprop-2-enoate is sourced from PubChem (CID 144942017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).