benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate

C14H15NO5 — CID 175234841

IUPACbenzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(=O)OC1CC(=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H15NO5/c1-10(16)20-12-7-13(17)15(8-12)14(18)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyGPLNTEZNHKGWKM-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.49
Rot. Bonds3

About benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate

benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 175234841) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
PubChem CID175234841
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namebenzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(=O)OC1CC(=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H15NO5/c1-10(16)20-12-7-13(17)15(8-12)14(18)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyGPLNTEZNHKGWKM-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate (CID 175234841) is benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate is CC(=O)OC1CC(=O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is GPLNTEZNHKGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-10(16)20-12-7-13(17)15(8-12)14(18)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 175234841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).