methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate

C15H28N2O4 — CID 59540412

IUPACmethyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1C(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)10-8-7-9-17(10)12(18)11(15(4,5)20)16-13(19)21-6/h10-11,20H,7-9H2,1-6H3,(H,16,19)
InChIKeyIBUHFSLIQOKKEN-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.52
Rot. Bonds3

About methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 59540412) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID59540412
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1C(C)(C)C)C(C)(C)O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)10-8-7-9-17(10)12(18)11(15(4,5)20)16-13(19)21-6/h10-11,20H,7-9H2,1-6H3,(H,16,19)
InChIKeyIBUHFSLIQOKKEN-UHFFFAOYSA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate (CID 59540412) is methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1C(C)(C)C)C(C)(C)O.
What is the InChIKey of methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is IBUHFSLIQOKKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)10-8-7-9-17(10)12(18)11(15(4,5)20)16-13(19)21-6/h10-11,20H,7-9H2,1-6H3,(H,16,19).
What are the key properties of methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59540412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).