benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate

C20H19NO6 — CID 2843932

IUPACbenzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C20H19NO6/c22-17-11-12-20(27-17,18(23)25-13-15-7-3-1-4-8-15)21-19(24)26-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24)
InChIKeyUDEUXDFROWZKJG-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.69
Rot. Bonds6

About benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate

benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate (PubChem CID 2843932) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate
PubChem CID2843932
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namebenzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C20H19NO6/c22-17-11-12-20(27-17,18(23)25-13-15-7-3-1-4-8-15)21-19(24)26-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24)
InChIKeyUDEUXDFROWZKJG-UHFFFAOYSA-N
XLogP2.69
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate?
The IUPAC name of benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate (CID 2843932) is benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate.
What is the SMILES notation for benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate?
The canonical SMILES for benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate is O=C1CCC(NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate?
The InChIKey is UDEUXDFROWZKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c22-17-11-12-20(27-17,18(23)25-13-15-7-3-1-4-8-15)21-19(24)26-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24).
What are the key properties of benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate?
benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-oxo-2-(phenylmethoxycarbonylamino)oxolane-2-carboxylate is sourced from PubChem (CID 2843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).