tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate

C11H19NO4 — CID 46189445

IUPACtert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H]1C=CCO1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyGQBNTPQAHKVYRE-RKDXNWHRSA-N
MW229.28 g/mol
LogP0.83
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate (PubChem CID 46189445) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate
PubChem CID46189445
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H]1C=CCO1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyGQBNTPQAHKVYRE-RKDXNWHRSA-N
XLogP0.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate (CID 46189445) is tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@H]1C=CCO1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate?
The InChIKey is GQBNTPQAHKVYRE-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-5,8-9,13H,6-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 46189445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).