1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate

C15H25NO4 — CID 71904508

IUPAC1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(18)16-10-6-9-12(16)13(17)19-11-7-4-5-8-11/h11-12H,4-10H2,1-3H3
InChIKeyVGNRIFGJPQADJB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.87
Rot. Bonds2

About 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate (PubChem CID 71904508) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
PubChem CID71904508
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(18)16-10-6-9-12(16)13(17)19-11-7-4-5-8-11/h11-12H,4-10H2,1-3H3
InChIKeyVGNRIFGJPQADJB-UHFFFAOYSA-N
XLogP2.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
CID 67976605
sodium tris[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy]boranuide
CID 23679383
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
CID 155769942
CID 155769942
1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;methane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 144826606
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
1-O-tert-butyl 2-O-[(3R)-2,5-dioxopyrrolidin-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 95048921

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate (CID 71904508) is 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)OC1CCCC1.
What is the InChIKey of 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is VGNRIFGJPQADJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(18)16-10-6-9-12(16)13(17)19-11-7-4-5-8-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 71904508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).