ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride

C9H15ClO2 — CID 159150821

IUPACethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1C[C@@H]2C[C@@H]2C1.Cl
InChIInChI=1S/C9H14O2.ClH/c1-2-11-9(10)8-4-6-3-7(6)5-8;/h6-8H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyQMZCLMXELHNEPN-PAFGHYSMSA-N
MW190.67 g/mol
LogP2.02
Rot. Bonds2

About ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride

ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride (PubChem CID 159150821) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
PubChem CID159150821
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Nameethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1C[C@@H]2C[C@@H]2C1.Cl
InChIInChI=1S/C9H14O2.ClH/c1-2-11-9(10)8-4-6-3-7(6)5-8;/h6-8H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyQMZCLMXELHNEPN-PAFGHYSMSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
CID 69301071
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
CID 165451948
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride?
The IUPAC name of ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride (CID 159150821) is ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride is CCOC(=O)C1C[C@@H]2C[C@@H]2C1.Cl.
What is the InChIKey of ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride?
The InChIKey is QMZCLMXELHNEPN-PAFGHYSMSA-N. The full InChI is InChI=1S/C9H14O2.ClH/c1-2-11-9(10)8-4-6-3-7(6)5-8;/h6-8H,2-5H2,1H3;1H/t6-,7+,8?;.
What are the key properties of ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride?
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride is sourced from PubChem (CID 159150821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).