ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate

C8H11NO3 — CID 125471384

IUPACethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1([C@@H](O)C#N)CC1
InChIInChI=1S/C8H11NO3/c1-2-12-7(11)8(3-4-8)6(10)5-9/h6,10H,2-4H2,1H3/t6-/m0/s1
InChIKeyPXNTZCBWUVDYSL-LURJTMIESA-N
MW169.18 g/mol
LogP0.21
Rot. Bonds3

About ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate

ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate (PubChem CID 125471384) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
PubChem CID125471384
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1([C@@H](O)C#N)CC1
InChIInChI=1S/C8H11NO3/c1-2-12-7(11)8(3-4-8)6(10)5-9/h6,10H,2-4H2,1H3/t6-/m0/s1
InChIKeyPXNTZCBWUVDYSL-LURJTMIESA-N
XLogP0.21
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate 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 1-[(S)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate
CID 125471388
ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
CID 102449614
diethyl (1R,2S)-1,2-dicyanospiro[2.5]octane-1,2-dicarboxylate
CID 792862
ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
CID 155619939
ethyl 1-carbamothioylcyclopropane-1-carboxylate
CID 155971303
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 5-cyano-3,5-dimethyl-4H-pyrazole-3-carboxylate
CID 15568429
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl 1-trimethylsilyloxycyclohexane-1-carboxylate
CID 141498306
ethyl 1-cyano-2-fluorocyclopropane-1-carboxylate
CID 117058548

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate (CID 125471384) is ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate is CCOC(=O)C1([C@@H](O)C#N)CC1.
What is the InChIKey of ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate?
The InChIKey is PXNTZCBWUVDYSL-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-7(11)8(3-4-8)6(10)5-9/h6,10H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate?
ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(R)-cyano(hydroxy)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 125471384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).