ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate

C14H25NO4 — CID 15283651

IUPACditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CN[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-13(2,3)18-11(16)9-7-10(15-8-9)12(17)19-14(4,5)6/h9-10,15H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyGMHBMBQSHZAOMT-VHSXEESVSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds2

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

ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate (PubChem CID 15283651) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
PubChem CID15283651
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CN[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-13(2,3)18-11(16)9-7-10(15-8-9)12(17)19-14(4,5)6/h9-10,15H,7-8H2,1-6H3/t9-,10+/m0/s1
InChIKeyGMHBMBQSHZAOMT-VHSXEESVSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl 4-(sulfanylcarbamoyl)pyrrolidine-2-carboxylate
CID 141022462
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl cyclopropanecarboxylate
CID 157212632

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate?
The IUPAC name of ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate (CID 15283651) is ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate?
The canonical SMILES for ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1CN[C@@H](C(=O)OC(C)(C)C)C1.
What is the InChIKey of ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate?
The InChIKey is GMHBMBQSHZAOMT-VHSXEESVSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)18-11(16)9-7-10(15-8-9)12(17)19-14(4,5)6/h9-10,15H,7-8H2,1-6H3/t9-,10+/m0/s1.
What are the key properties of ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate?
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 15283651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).