tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate

C15H20N2O5 — CID 146756416

IUPACtert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CN1OC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)21-14(20)16-9-12(18)10-17(16)22-13(19)11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3
InChIKeyROMGBDQWEOQOCY-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.59
Rot. Bonds2

About tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate

tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate (PubChem CID 146756416) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate
PubChem CID146756416
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nametert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CN1OC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)21-14(20)16-9-12(18)10-17(16)22-13(19)11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3
InChIKeyROMGBDQWEOQOCY-UHFFFAOYSA-N
XLogP1.59
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 163839766
tert-butyl 3-benzoyloxy-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 170423570
tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate
CID 167218126
tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 178145170
CID 162139404
CID 162139404
tert-butyl 4-benzoyloxy-3-methylpiperidine-1-carboxylate
CID 129278133
(2S,4R)-4-benzoyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14213923
tert-butyl 3-(benzoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094514
tert-butyl (3S)-3-benzoylsulfanylpyrrolidine-1-carboxylate
CID 54255265
1-O-tert-butyl 2-O-methyl (2S,4R)-4-benzoyloxypyrrolidine-1,2-dicarboxylate
CID 11772448
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
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tert-butyl 3-hydroxyazepane-1-carboxylate;toluene
CID 156749659

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate (CID 146756416) is tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)CN1OC(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate?
The InChIKey is ROMGBDQWEOQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)21-14(20)16-9-12(18)10-17(16)22-13(19)11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate?
tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate is sourced from PubChem (CID 146756416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).