cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

C10H17NO4 — CID 91663882

IUPACcis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1
InChIKeyJYDFYTQQOAHATE-NKWVEPMBSA-N
MW215.25 g/mol
LogP1.07
Rot. Bonds2

About cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (PubChem CID 91663882) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
PubChem CID91663882
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namecis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1
InChIKeyJYDFYTQQOAHATE-NKWVEPMBSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate (CID 91663882) is cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
The InChIKey is JYDFYTQQOAHATE-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-5-6(7)8(12)14-4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 91663882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).