tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate

C15H27NO3 — CID 106707539

IUPACtert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
SMILESCC(C)C1CCCN1C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)12-7-6-10-16(12)13(17)8-9-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyUHEIYKCXJBJOLX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds4

About tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate

tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate (PubChem CID 106707539) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
PubChem CID106707539
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
SMILESCC(C)C1CCCN1C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)12-7-6-10-16(12)13(17)8-9-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyUHEIYKCXJBJOLX-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
CID 99808840
4-[3-oxo-3-(2-propan-2-ylpyrrolidin-1-yl)propyl]benzoic acid
CID 119180819
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 130562121
methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
CID 58226565
tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
CID 106706926
4-[3-oxo-3-(2-propan-2-ylpiperidin-1-yl)propyl]benzoic acid
CID 119185460
tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 106706964
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate (CID 106707539) is tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate is CC(C)C1CCCN1C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate?
The InChIKey is UHEIYKCXJBJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)12-7-6-10-16(12)13(17)8-9-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate?
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 106707539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).