tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 82088746

IUPACtert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate
SMILESCC(C)CC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)9-12(16)11-7-6-8-15(11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWCWIGBPEMVTAKK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate

tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate (PubChem CID 82088746) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate
PubChem CID82088746
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate
SMILESCC(C)CC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)9-12(16)11-7-6-8-15(11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWCWIGBPEMVTAKK-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
tert-butyl (2S)-2-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 72698658
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-oxobutanoic acid
CID 14011210
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl (2S)-2-(2-cyanoacetyl)pyrrolidine-1-carboxylate
CID 73424848
tert-butyl (2S)-2-[2-(cyclopropylamino)acetyl]pyrrolidine-1-carboxylate
CID 18606692
tert-butyl 2-(4,4,4-trifluoro-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 50742311
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate (CID 82088746) is tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate is CC(C)CC(=O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate?
The InChIKey is WCWIGBPEMVTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)9-12(16)11-7-6-8-15(11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methylbutanoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 82088746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).