cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate

C13H15NO3 — CID 121371274

IUPACcis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]1(C(N)=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-11(15)10-8-13(10,12(14)16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,14,16)/t10-,13+/m0/s1
InChIKeyLPFXANONJQEGPI-GXFFZTMASA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds4

About cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate (PubChem CID 121371274) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
PubChem CID121371274
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namecis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]1(C(N)=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-17-11(15)10-8-13(10,12(14)16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,14,16)/t10-,13+/m0/s1
InChIKeyLPFXANONJQEGPI-GXFFZTMASA-N
XLogP0.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101241031
CID 101241031
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cis-ethyl (1R,2S)-2-[(E)-oct-1-enyl]-2-phenylcyclopropane-1-carboxylate
CID 102475400
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
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CID 21330521

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate (CID 121371274) is cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@@]1(C(N)=O)c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate?
The InChIKey is LPFXANONJQEGPI-GXFFZTMASA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-17-11(15)10-8-13(10,12(14)16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,14,16)/t10-,13+/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 121371274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).