tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate

C13H23NO4 — CID 138112929

IUPACtert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2OCC(CCO)C2C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-6-10-9(4-5-15)8-17-11(10)7-14/h9-11,15H,4-8H2,1-3H3
InChIKeyYBEGBGHBTNIJLG-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate

tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate (PubChem CID 138112929) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
PubChem CID138112929
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2OCC(CCO)C2C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-6-10-9(4-5-15)8-17-11(10)7-14/h9-11,15H,4-8H2,1-3H3
InChIKeyYBEGBGHBTNIJLG-UHFFFAOYSA-N
XLogP1.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate with MolForge

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Related Compounds

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CID 118111531
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CID 154703333
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
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tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 3-[2-(hydroxymethyl)cyclopropyl]azetidine-1-carboxylate
CID 130138495
tert-butyl (3aR,7S,7aS)-7-amino-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-2-carboxylate
CID 97112114
tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
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tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate (CID 138112929) is tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1CC2OCC(CCO)C2C1.
What is the InChIKey of tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
The InChIKey is YBEGBGHBTNIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-6-10-9(4-5-15)8-17-11(10)7-14/h9-11,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate?
tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 138112929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).