[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate

C15H19NO3 — CID 3290911

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC(NC(=O)COC(=O)C1CC1C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-8-13(10)15(18)19-9-14(17)16-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17)
InChIKeyMRMTUJHCKJKURE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.06
Rot. Bonds5

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 3290911) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID3290911
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC(NC(=O)COC(=O)C1CC1C)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-8-13(10)15(18)19-9-14(17)16-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17)
InChIKeyMRMTUJHCKJKURE-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate (CID 3290911) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate is CC(NC(=O)COC(=O)C1CC1C)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is MRMTUJHCKJKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-8-13(10)15(18)19-9-14(17)16-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 3290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).