tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate

C15H27NO4 — CID 162409838

IUPACtert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CCC[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-5-19-13(17)10-6-8-12-9-7-11-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyGPRBKNUWYXYNDZ-GFCCVEGCSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate (PubChem CID 162409838) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
PubChem CID162409838
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CCC[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-5-19-13(17)10-6-8-12-9-7-11-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyGPRBKNUWYXYNDZ-GFCCVEGCSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86313536
tert-butyl 2-(5-methoxy-5-oxopentyl)pyrrolidine-1-carboxylate
CID 151430695
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
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tert-butyl 2-[[(4-ethoxy-4-oxobutyl)amino]methyl]piperidine-1-carboxylate
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tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
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tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-[(E)-6-ethoxy-3,6-dioxohex-4-enyl]pyrrolidine-1-carboxylate
CID 177231539
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
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tert-butyl (2R)-2-(9-oxononyl)pyrrolidine-1-carboxylate
CID 162403053
tert-butyl (2S)-2-(4-chloro-3-oxobutyl)pyrrolidine-1-carboxylate
CID 58574825

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate (CID 162409838) is tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate is CCOC(=O)CCC[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate?
The InChIKey is GPRBKNUWYXYNDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-19-13(17)10-6-8-12-9-7-11-16(12)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162409838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).