cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate

C10H19NO2 — CID 178037982

IUPACcis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(CN(C)C)C[C@H]1C
InChIInChI=1S/C10H19NO2/c1-5-13-9(12)10(6-8(10)2)7-11(3)4/h8H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKeyVRYTVLBULSSVCT-PSASIEDQSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds4

About cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate

cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate (PubChem CID 178037982) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate
PubChem CID178037982
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(CN(C)C)C[C@H]1C
InChIInChI=1S/C10H19NO2/c1-5-13-9(12)10(6-8(10)2)7-11(3)4/h8H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKeyVRYTVLBULSSVCT-PSASIEDQSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate (CID 178037982) is cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate is CCOC(=O)[C@@]1(CN(C)C)C[C@H]1C.
What is the InChIKey of cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate?
The InChIKey is VRYTVLBULSSVCT-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-13-9(12)10(6-8(10)2)7-11(3)4/h8H,5-7H2,1-4H3/t8-,10-/m1/s1.
What are the key properties of cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate?
cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-1-[(dimethylamino)methyl]-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 178037982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).