ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 69120014

IUPACethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
SMILESC=C[C@@H]1CC1(N)C(=O)OCC.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-3-6-5-8(6,9)7(10)11-4-2;/h3,6H,1,4-5,9H2,2H3;1H/t6-,8?;/m1./s1
InChIKeyRSBFMCGEQFBZBE-GAQJHFJWSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds3

About ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride

ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride (PubChem CID 69120014) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
PubChem CID69120014
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Nameethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
SMILESC=C[C@@H]1CC1(N)C(=O)OCC.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-3-6-5-8(6,9)7(10)11-4-2;/h3,6H,1,4-5,9H2,2H3;1H/t6-,8?;/m1./s1
InChIKeyRSBFMCGEQFBZBE-GAQJHFJWSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylbenzenesulfonic acid;trans-ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 87224665
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 68578844
2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine
CID 89192702
cis-ethyl (1R,2R)-1-(chloroamino)-2-ethenylcyclopropane-1-carboxylate
CID 87414825
trans-(1S,2R)-1-amino-2-ethenylcyclopropane-1-carboxylate
CID 57468327
(E)-1,4-dibromobut-2-ene;diethyl 2-ethenylcyclopropane-1,1-dicarboxylate;diethyl propanedioate;ethane
CID 161195875
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 58192155
ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
CID 10585207
cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
CID 99998706
1-O-ethyl 1-O'-(2-phosphonooxyethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
CID 59027122

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride (CID 69120014) is ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride is C=C[C@@H]1CC1(N)C(=O)OCC.Cl.
What is the InChIKey of ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride?
The InChIKey is RSBFMCGEQFBZBE-GAQJHFJWSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-3-6-5-8(6,9)7(10)11-4-2;/h3,6H,1,4-5,9H2,2H3;1H/t6-,8?;/m1./s1.
What are the key properties of ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride?
ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 69120014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).