methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate

C11H19NO4 — CID 71148920

IUPACmethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-7-11(5-6-11)8(13)15-4/h5-7H2,1-4H3,(H,12,14)
InChIKeyBNFKQAZMTSXVIN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 71148920) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate
PubChem CID71148920
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-7-11(5-6-11)8(13)15-4/h5-7H2,1-4H3,(H,12,14)
InChIKeyBNFKQAZMTSXVIN-UHFFFAOYSA-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 methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate (CID 71148920) is methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is BNFKQAZMTSXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-7-11(5-6-11)8(13)15-4/h5-7H2,1-4H3,(H,12,14).
What are the key properties of methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]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 methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71148920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).