cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride

C7H14ClNO2 — CID 167735532

IUPACcis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H]1CCN.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-5(6)2-3-8;/h5-6H,2-4,8H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyYDNAZTBSZCEUMF-KGZKBUQUSA-N
MW179.65 g/mol
LogP0.57
Rot. Bonds3

About cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride

cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride (PubChem CID 167735532) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
PubChem CID167735532
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namecis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H]1CCN.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-5(6)2-3-8;/h5-6H,2-4,8H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyYDNAZTBSZCEUMF-KGZKBUQUSA-N
XLogP0.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride (CID 167735532) is cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@H]1CCN.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride?
The InChIKey is YDNAZTBSZCEUMF-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-5(6)2-3-8;/h5-6H,2-4,8H2,1H3;1H/t5-,6-;/m1./s1.
What are the key properties of cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 167735532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).