cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate

C8H15NO2 — CID 45082211

IUPACcis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(N)[C@H](C)C1(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(2,3)8(5,9)6(10)11-4/h5H,9H2,1-4H3/t5-,8-/m1/s1
InChIKeyDOUYLOLZCJFUEA-SVGQVSJJSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds1

About cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate

cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate (PubChem CID 45082211) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate
PubChem CID45082211
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(N)[C@H](C)C1(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(2,3)8(5,9)6(10)11-4/h5H,9H2,1-4H3/t5-,8-/m1/s1
InChIKeyDOUYLOLZCJFUEA-SVGQVSJJSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate (CID 45082211) is cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate is COC(=O)[C@]1(N)[C@H](C)C1(C)C.
What is the InChIKey of cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate?
The InChIKey is DOUYLOLZCJFUEA-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(2,3)8(5,9)6(10)11-4/h5H,9H2,1-4H3/t5-,8-/m1/s1.
What are the key properties of cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate?
cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 45082211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).