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Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate

C14H25NO5 — CID 11231521

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]([C@@H]2COC(C)(C)O2)[C@@H](O)C1
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-6-9(10(16)7-15)11-8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyQGHBYFUTWNYCIS-DCAQKATOSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds1

About Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate

Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 11231521) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID11231521
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H]([C@@H]2COC(C)(C)O2)[C@@H](O)C1
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-6-9(10(16)7-15)11-8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyQGHBYFUTWNYCIS-DCAQKATOSA-N
XLogP1.37
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate (CID 11231521) is tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H]([C@@H]2COC(C)(C)O2)[C@@H](O)C1.
What is the InChIKey of Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is QGHBYFUTWNYCIS-DCAQKATOSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-6-9(10(16)7-15)11-8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m0/s1.
What are the key properties of Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate?
Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl (3S,4R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 11231521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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