tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate

C13H25NO3 — CID 131734811

IUPACtert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCC[C@H]1CC(O)[C@@H](CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-9-8-11(15)10(7-2)14(9)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t9-,10+,11?/m0/s1
InChIKeyFMKVEYGWDLQISL-MTULOOOASA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 131734811) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate
PubChem CID131734811
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate
SMILESCC[C@H]1CC(O)[C@@H](CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-9-8-11(15)10(7-2)14(9)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t9-,10+,11?/m0/s1
InChIKeyFMKVEYGWDLQISL-MTULOOOASA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate
CID 71137841
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (3aS,8aR)-2-ethyl-6-oxo-2,3,3a,4,5,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate
CID 59465444
tert-butyl (1S,4R,6S)-4-(aminomethyl)-2-ethyl-5-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130206871
tert-butyl 2,6-diethyl-4-(5-hydroxypyrimidin-2-yl)arsanylpiperidine-1-carboxylate
CID 173108449
tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 91885346
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176763808
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
1-O-tert-butyl 2-O-methyl 4-hydroxy-5-methylpyrrolidine-1,2-dicarboxylate
CID 134257440
tert-butyl 3-(bromomethyl)-2-ethylpyrrolidine-1-carboxylate
CID 131021142

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate (CID 131734811) is tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate is CC[C@H]1CC(O)[C@@H](CC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is FMKVEYGWDLQISL-MTULOOOASA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-9-8-11(15)10(7-2)14(9)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t9-,10+,11?/m0/s1.
What are the key properties of tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 131734811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).