cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate

C8H15NO2 — CID 13039526

IUPACcis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CNC
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-4-6(7)5-9-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyNGGMVIPSSCOBOS-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.41
Rot. Bonds4

About cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate (PubChem CID 13039526) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
PubChem CID13039526
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1CNC
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-4-6(7)5-9-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyNGGMVIPSSCOBOS-NKWVEPMBSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-ethyl (1R,2R)-2-(methylaminomethyl)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

cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57095228
ethyl 2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]cyclopropane-1-carboxylate
CID 42776881
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
CID 142540009
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
trans-ethyl (1R,2R)-2-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57187213
ethyl 2-(8-chlorooctyl)cyclopropane-1-carboxylate
CID 139889614
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate (CID 13039526) is cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1CNC.
What is the InChIKey of cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate?
The InChIKey is NGGMVIPSSCOBOS-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-8(10)7-4-6(7)5-9-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 13039526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).