tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate

C10H20N2O3 — CID 28819679

IUPACtert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyIJLLHXGWHBTSPV-HTQZYQBOSA-N
MW216.28 g/mol
LogP0.19
Rot. Bonds1

About tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 28819679) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate
PubChem CID28819679
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyIJLLHXGWHBTSPV-HTQZYQBOSA-N
XLogP0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Boc-aminomethyl-3-hydroxy-1-N-Boc-pyrrolidine
CID 4532904
tert-Butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 24820286
(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
CID 11275699
Tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 10584835
1,1-Dimethylethyl (3S,4R)-3-amino-4-hydroxy-1-pyrrolidinecarboxylate
CID 10798157
tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate
CID 11106786
trans-3-Azido-1-Boc-4-hydroxypyrrolidine
CID 11128048
rac-tert-butyl (3R,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
CID 11820622
rac-tert-butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069970
rac-tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069971
rel-1,1-Dimethylethyl (3R,4R)-3-amino-4-methoxy-1-pyrrolidinecarboxylate
CID 16227912
4-N-Boc-2-hydroxymethylpiperazine
CID 22386508

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate (CID 28819679) is tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate is CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is IJLLHXGWHBTSPV-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 28819679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).