[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate

C14H17NO3 — CID 2363855

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCCc1ccccc1
InChIInChI=1S/C14H17NO3/c16-13(10-18-14(17)12-6-7-12)15-9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyULPCUNFUPNUEAJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.30
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate (PubChem CID 2363855) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
PubChem CID2363855
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCCc1ccccc1
InChIInChI=1S/C14H17NO3/c16-13(10-18-14(17)12-6-7-12)15-9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyULPCUNFUPNUEAJ-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-[(2-phenylacetyl)amino]acetate
CID 239006
[2-(Benzylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2079530
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 2435628
[2-(Benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 3889313
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 4445443
Ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-Propyn-1-yl 4-oxo-4-[(2-phenylethyl)amino]butanoate
CID 2304667
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
[2-Oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 3612465
[2-Oxo-2-(2-phenylethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4171405
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 4235031
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate (CID 2363855) is [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate?
The InChIKey is ULPCUNFUPNUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(10-18-14(17)12-6-7-12)15-9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2363855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).