2-O-amino 1-O-(2-phenylethenyl) oxalate

C10H9NO4 — CID 174927397

IUPAC2-O-amino 1-O-(2-phenylethenyl) oxalate
SMILESNOC(=O)C(=O)OC=Cc1ccccc1
InChIInChI=1S/C10H9NO4/c11-15-10(13)9(12)14-7-6-8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyLTRNUIWPRDKYBE-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.62
Rot. Bonds2

About 2-O-amino 1-O-(2-phenylethenyl) oxalate

2-O-amino 1-O-(2-phenylethenyl) oxalate (PubChem CID 174927397) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-O-amino 1-O-(2-phenylethenyl) oxalate.

Molecular Properties

Compound Name2-O-amino 1-O-(2-phenylethenyl) oxalate
PubChem CID174927397
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-O-amino 1-O-(2-phenylethenyl) oxalate
SMILESNOC(=O)C(=O)OC=Cc1ccccc1
InChIInChI=1S/C10H9NO4/c11-15-10(13)9(12)14-7-6-8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyLTRNUIWPRDKYBE-UHFFFAOYSA-N
XLogP0.62
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenyl 3-amino-2-methylbut-2-enoate
CID 175322238
bis(2-phenylethenyl) (E)-2-aminobut-2-enedioate
CID 174499204
2-phenylethenyl 2-oxobutanoate
CID 68843055
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2-phenylethenyl prop-2-enoate;silyloxysilane
CID 173165185
amino 3-phenylprop-2-enoate
CID 67189797
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-phenylethenyl propanoate
CID 15502186
2-phenylethenyl 2,3-dihydroxypropanoate
CID 141412154
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
2-phenylethenyl 3-hydroxypropanoate
CID 174401435

Frequently Asked Questions

What is the IUPAC name of 2-O-amino 1-O-(2-phenylethenyl) oxalate?
The IUPAC name of 2-O-amino 1-O-(2-phenylethenyl) oxalate (CID 174927397) is 2-O-amino 1-O-(2-phenylethenyl) oxalate.
What is the SMILES notation for 2-O-amino 1-O-(2-phenylethenyl) oxalate?
The canonical SMILES for 2-O-amino 1-O-(2-phenylethenyl) oxalate is NOC(=O)C(=O)OC=Cc1ccccc1.
What is the InChIKey of 2-O-amino 1-O-(2-phenylethenyl) oxalate?
The InChIKey is LTRNUIWPRDKYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c11-15-10(13)9(12)14-7-6-8-4-2-1-3-5-8/h1-7H,11H2.
What are the key properties of 2-O-amino 1-O-(2-phenylethenyl) oxalate?
2-O-amino 1-O-(2-phenylethenyl) oxalate has a molecular weight of 207.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-amino 1-O-(2-phenylethenyl) oxalate is sourced from PubChem (CID 174927397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).