tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate

C13H25NO4 — CID 80709141

IUPACtert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCOCCO
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(16)11-5-4-6-14(11)7-9-17-10-8-15/h11,15H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyGLFYDWUCABPVQK-LLVKDONJSA-N
MW259.35 g/mol
LogP0.80
Rot. Bonds6

About tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate (PubChem CID 80709141) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
PubChem CID80709141
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCOCCO
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(16)11-5-4-6-14(11)7-9-17-10-8-15/h11,15H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyGLFYDWUCABPVQK-LLVKDONJSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxylate
CID 81003157
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 14482400
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
tert-butyl (2S)-1-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylate
CID 82844513
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2S)-1-but-3-enylpyrrolidine-2-carboxylate
CID 81002810

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate (CID 80709141) is tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1CCOCCO.
What is the InChIKey of tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is GLFYDWUCABPVQK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-12(16)11-5-4-6-14(11)7-9-17-10-8-15/h11,15H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80709141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).