ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

C14H25NO5 — CID 7408710

IUPACditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyOXHIVNUWGSCHBD-ZJUUUORDSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds1

About ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 7408710) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID7408710
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyOXHIVNUWGSCHBD-ZJUUUORDSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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

Oxaceprol
CID 65784
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
1-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 268472
N-Boc-cis-4-hydroxy-L-proline methyl ester
CID 10752873
Pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
CID 3127493
1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 394147
(2R,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 667435
(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 88804
(2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 688022
(2S,4S)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 688614
(2S,4R)-methyl 1-acetyl-4-hydroxypyrrolidine-2-carboxylate
CID 14104451
1-Acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 538341

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 7408710) is ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is OXHIVNUWGSCHBD-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 7408710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).