tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate

C14H25NO5 — CID 67269775

IUPACtert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-5-19-12(17)7-6-10-8-11(16)9-15(10)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyCUWOIZOHMATJKK-GHMZBOCLSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 67269775) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID67269775
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-5-19-12(17)7-6-10-8-11(16)9-15(10)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyCUWOIZOHMATJKK-GHMZBOCLSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-[2-Hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]undecanoic acid
CID 44142960
3-((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)propanoic acid
CID 10824137
2-((2S,4R)-1-((tert-butoxy)carbonyl)-4-hydroxypyrrolidin-2-yl)acetic acid
CID 130761538
3-[(2R)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid
CID 95732442
2-((2R,4R)-1-((tert-butoxy)carbonyl)-4-hydroxypyrrolidin-2-yl)acetic acid
CID 155819570
(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 10659844
tert-Butyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10801136
N-Boc-dolaproine-methyl
CID 11346731
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15102601
Tert-butyl 2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 58574582
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 117927758
3-[(2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidin-2-yl]propanoic acid
CID 117939347

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate (CID 67269775) is tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate is CCOC(=O)CC[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is CUWOIZOHMATJKK-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-19-12(17)7-6-10-8-11(16)9-15(10)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67269775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).