tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate

C10H19NO3 — CID 11008972

IUPACtert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyBXZADLGAYWRZCR-JGVFFNPUSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds

About tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate (PubChem CID 11008972) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
PubChem CID11008972
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyBXZADLGAYWRZCR-JGVFFNPUSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate (CID 11008972) is tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate is C[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate?
The InChIKey is BXZADLGAYWRZCR-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11008972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).