benzyl 4-acetyloxypyrazolidine-1-carboxylate

C13H16N2O4 — CID 71102749

IUPACbenzyl 4-acetyloxypyrazolidine-1-carboxylate
SMILESCC(=O)OC1CNN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O4/c1-10(16)19-12-7-14-15(8-12)13(17)18-9-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3
InChIKeyDHJRDYHTNQOZCE-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.08
Rot. Bonds3

About benzyl 4-acetyloxypyrazolidine-1-carboxylate

benzyl 4-acetyloxypyrazolidine-1-carboxylate (PubChem CID 71102749) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is benzyl 4-acetyloxypyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-acetyloxypyrazolidine-1-carboxylate
PubChem CID71102749
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namebenzyl 4-acetyloxypyrazolidine-1-carboxylate
SMILESCC(=O)OC1CNN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O4/c1-10(16)19-12-7-14-15(8-12)13(17)18-9-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3
InChIKeyDHJRDYHTNQOZCE-UHFFFAOYSA-N
XLogP1.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
(3R,5S)-5-acetyloxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 124650170
benzyl (3S)-3-acetyloxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 70085551
benzyl (4S,5S)-4,5-diacetyloxy-2-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 11530984
benzyl (2R)-4-acetyloxy-2-[[(3S)-2,3-dihydro-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 70995092
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
benzyl (3R,4S,5S)-4-acetyloxy-3-methoxy-5-phenylmethoxypiperidine-1-carboxylate
CID 42639035
benzyl acetate
CID 8785
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964

Frequently Asked Questions

What is the IUPAC name of benzyl 4-acetyloxypyrazolidine-1-carboxylate?
The IUPAC name of benzyl 4-acetyloxypyrazolidine-1-carboxylate (CID 71102749) is benzyl 4-acetyloxypyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-acetyloxypyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 4-acetyloxypyrazolidine-1-carboxylate is CC(=O)OC1CNN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 4-acetyloxypyrazolidine-1-carboxylate?
The InChIKey is DHJRDYHTNQOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-10(16)19-12-7-14-15(8-12)13(17)18-9-11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3.
What are the key properties of benzyl 4-acetyloxypyrazolidine-1-carboxylate?
benzyl 4-acetyloxypyrazolidine-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-acetyloxypyrazolidine-1-carboxylate is sourced from PubChem (CID 71102749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).