ethyl 5-acetylpyrazolidine-3-carboxylate

C8H14N2O3 — CID 170905904

IUPACethyl 5-acetylpyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(C(C)=O)NN1
InChIInChI=1S/C8H14N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h6-7,9-10H,3-4H2,1-2H3
InChIKeyXYENZFIGUJRAAU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.63
Rot. Bonds3

About ethyl 5-acetylpyrazolidine-3-carboxylate

ethyl 5-acetylpyrazolidine-3-carboxylate (PubChem CID 170905904) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 5-acetylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetylpyrazolidine-3-carboxylate
PubChem CID170905904
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 5-acetylpyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(C(C)=O)NN1
InChIInChI=1S/C8H14N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h6-7,9-10H,3-4H2,1-2H3
InChIKeyXYENZFIGUJRAAU-UHFFFAOYSA-N
XLogP-0.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyclopropylpyrazolidine-3-carboxylate
CID 19261694
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ethyl piperazine-2-carboxylate
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(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
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ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
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ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 4-tert-butylpyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetylpyrazolidine-3-carboxylate?
The IUPAC name of ethyl 5-acetylpyrazolidine-3-carboxylate (CID 170905904) is ethyl 5-acetylpyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetylpyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-acetylpyrazolidine-3-carboxylate is CCOC(=O)C1CC(C(C)=O)NN1.
What is the InChIKey of ethyl 5-acetylpyrazolidine-3-carboxylate?
The InChIKey is XYENZFIGUJRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h6-7,9-10H,3-4H2,1-2H3.
What are the key properties of ethyl 5-acetylpyrazolidine-3-carboxylate?
ethyl 5-acetylpyrazolidine-3-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetylpyrazolidine-3-carboxylate is sourced from PubChem (CID 170905904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).