tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

C10H19NO3 — CID 22951485

IUPACtert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
SMILESCC1(O)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyFXYJNVGRFDRSKS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds

About tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate (PubChem CID 22951485) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
PubChem CID22951485
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
SMILESCC1(O)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyFXYJNVGRFDRSKS-UHFFFAOYSA-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 3-hydroxy-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate (CID 22951485) is tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate is CC1(O)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate?
The InChIKey is FXYJNVGRFDRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-5-10(4,13)7-11/h13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3-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 3-hydroxy-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 22951485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).