[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate

C13H23NO4 — CID 58216146

IUPAC[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-8-6-7-10(11)14(5)12(16)18-13(2,3)4/h10-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyUAPQBRUPDWYEAD-GHMZBOCLSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds2

About [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate

[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate (PubChem CID 58216146) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate
PubChem CID58216146
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-8-6-7-10(11)14(5)12(16)18-13(2,3)4/h10-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyUAPQBRUPDWYEAD-GHMZBOCLSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate?
The IUPAC name of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate (CID 58216146) is [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate.
What is the SMILES notation for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate?
The canonical SMILES for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate is CC(=O)O[C@@H]1CCC[C@H]1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate?
The InChIKey is UAPQBRUPDWYEAD-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)17-11-8-6-7-10(11)14(5)12(16)18-13(2,3)4/h10-11H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate?
[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentyl] acetate is sourced from PubChem (CID 58216146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).