cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate

C10H17NO2 — CID 129415808

IUPACcis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(CN)C[C@H]1C1CC1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10(6-11)5-8(10)7-3-4-7/h7-8H,2-6,11H2,1H3/t8-,10-/m0/s1
InChIKeyZMRAWICYJTYOHU-WPRPVWTQSA-N
MW183.25 g/mol
LogP0.92
Rot. Bonds4

About cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate

cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate (PubChem CID 129415808) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
PubChem CID129415808
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(CN)C[C@H]1C1CC1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10(6-11)5-8(10)7-3-4-7/h7-8H,2-6,11H2,1H3/t8-,10-/m0/s1
InChIKeyZMRAWICYJTYOHU-WPRPVWTQSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
CID 12035454
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
CID 123166470
ethyl (1S,4S)-tricyclo[3.2.1.02,4]octane-1-carboxylate
CID 100982051
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
diethyl 2-oxobicyclo[3.1.0]hexane-6,6-dicarboxylate
CID 14321571
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate (CID 129415808) is cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(CN)C[C@H]1C1CC1.
What is the InChIKey of cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate?
The InChIKey is ZMRAWICYJTYOHU-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)10(6-11)5-8(10)7-3-4-7/h7-8H,2-6,11H2,1H3/t8-,10-/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate is sourced from PubChem (CID 129415808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).