tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate

C11H22N2O3 — CID 58006925

IUPACtert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
SMILESCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-8(12(4)5)9(14)7-13/h8-9,14H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyVYJCQLFIOYWZQH-RKDXNWHRSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds1

About tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 58006925) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID58006925
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
SMILESCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-8(12(4)5)9(14)7-13/h8-9,14H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyVYJCQLFIOYWZQH-RKDXNWHRSA-N
XLogP0.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate (CID 58006925) is tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate is CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is VYJCQLFIOYWZQH-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-8(12(4)5)9(14)7-13/h8-9,14H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 58006925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).