cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate

C6H11NO2 — CID 45116481

IUPACcis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1CN
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKeyCMHSWRSLJXDXBH-CRCLSJGQSA-N
MW129.16 g/mol
LogP-0.25
Rot. Bonds2

About cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate

cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 45116481) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID45116481
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1CN
InChIInChI=1S/C6H11NO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKeyCMHSWRSLJXDXBH-CRCLSJGQSA-N
XLogP-0.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-methyl (1R,2R)-2-(aminomethyl)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

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate (CID 45116481) is cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1CN.
What is the InChIKey of cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is CMHSWRSLJXDXBH-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1.
What are the key properties of cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate?
cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 45116481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).