trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

C11H19NO4 — CID 11009741

IUPACtrans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyWQCFOWMOJLYSPS-HTQZYQBOSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (PubChem CID 11009741) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
PubChem CID11009741
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametrans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyWQCFOWMOJLYSPS-HTQZYQBOSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (CID 11009741) is trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The InChIKey is WQCFOWMOJLYSPS-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-15-9(13)7-6-8(7)12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 11009741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).