2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate

C11H18NO4- — CID 6921824

IUPAC2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[O-]
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m1/s1
InChIKeyGDWKIRLZWQQMIE-MRVPVSSYSA-M
MW228.27 g/mol
LogP0.53
Rot. Bonds2

About 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate

2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate (PubChem CID 6921824) has the molecular formula C11H18NO4- and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Name2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate
PubChem CID6921824
Molecular FormulaC11H18NO4-
Molecular Weight228.27 g/mol
Exact Mass228.12
IUPAC Name2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[O-]
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m1/s1
InChIKeyGDWKIRLZWQQMIE-MRVPVSSYSA-M
XLogP0.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate?
The IUPAC name of 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate (CID 6921824) is 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate is CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[O-].
What is the InChIKey of 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate?
The InChIKey is GDWKIRLZWQQMIE-MRVPVSSYSA-M. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1/t8-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate?
2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate has a molecular weight of 228.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 6921824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).