tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate

C11H19NO6 — CID 11777422

IUPACtert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-6(5-17-4)7(13)8(14)9(12)15/h6-8,13-14H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyNKXBRCVTNCSJKR-BWZBUEFSSA-N
MW261.27 g/mol
LogP-0.50
Rot. Bonds2

About tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 11777422) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID11777422
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Nametert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-6(5-17-4)7(13)8(14)9(12)15/h6-8,13-14H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyNKXBRCVTNCSJKR-BWZBUEFSSA-N
XLogP-0.50
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

rac-(2R,3S,4R)-1-[(tert-butoxy)carbonyl]-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 145899350
tert-butyl (4S)-4-[(1S,2S)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14999469
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209428
tert-butyl (3R,4R,5S)-3,4-dihydroxy-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 46934909
tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 49788166
tert-butyl (4S)-4-[(1S,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 49793323
tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101259109
tert-butyl (2S)-2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-oxopyrrolidine-1-carboxylate
CID 122389745
tert-butyl (4S)-4-[(1R,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833624
tert-butyl (4S)-4-[(1R,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840959
1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 10912226
Boc-L-Pyroglutaminol
CID 11053046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate (CID 11777422) is tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate is COC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is NKXBRCVTNCSJKR-BWZBUEFSSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-6(5-17-4)7(13)8(14)9(12)15/h6-8,13-14H,5H2,1-4H3/t6-,7-,8-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 261.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11777422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).