tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate

C11H21NO5 — CID 54052542

IUPACtert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](OCCO)C1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLTXUCOMZDWCUPT-RKDXNWHRSA-N
MW247.29 g/mol
LogP-0.02
Rot. Bonds3

About tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate (PubChem CID 54052542) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
PubChem CID54052542
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](O)[C@H](OCCO)C1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLTXUCOMZDWCUPT-RKDXNWHRSA-N
XLogP-0.02
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 854055
1-Boc-3-pyrrolidinol
CID 4416939
tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10847957
(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
Compound 10
CID 13329883
(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
CID 57416936
5-(Hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one
CID 14456876
3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 6544479
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate (CID 54052542) is tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](OCCO)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The InChIKey is LTXUCOMZDWCUPT-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 54052542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).