trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate

C6H9NO3 — CID 167023160

IUPACtrans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1C(N)=O
InChIInChI=1S/C6H9NO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H2,7,8)/t3-,4-/m0/s1
InChIKeyZDDQXVWCSRTXGA-IMJSIDKUSA-N
MW143.14 g/mol
LogP-0.72
Rot. Bonds2

About trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate (PubChem CID 167023160) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate
PubChem CID167023160
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nametrans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1C(N)=O
InChIInChI=1S/C6H9NO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H2,7,8)/t3-,4-/m0/s1
InChIKeyZDDQXVWCSRTXGA-IMJSIDKUSA-N
XLogP-0.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-methyl (1S,2S)-2-carbamoylcyclopropane-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 trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate (CID 167023160) is trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1C(N)=O.
What is the InChIKey of trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate?
The InChIKey is ZDDQXVWCSRTXGA-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H2,7,8)/t3-,4-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-carbamoylcyclopropane-1-carboxylate is sourced from PubChem (CID 167023160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).