ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate

C14H25NO5 — CID 74950736

IUPACditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyYFGRKTBRNCLLIA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.05
Rot. Bonds1

About ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate

ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 74950736) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID74950736
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)C1CCC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyYFGRKTBRNCLLIA-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 394147
1-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 268472
Pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
CID 3127493
N-Boc-cis-4-hydroxy-L-proline methyl ester
CID 10752873
(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
Boc-L-Pro-Ome
CID 1277666
(2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 6951202
(2R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 11459222
Boc-DL-Proline ethyl ester
CID 12195585

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate (CID 74950736) is ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)C1CCC(O)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is YFGRKTBRNCLLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3.
What are the key properties of ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate?
ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 74950736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).