[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C14H17NO3 — CID 3883134

IUPAC[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyORTYUUSUZXYCRJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.50
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 3883134) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID3883134
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyORTYUUSUZXYCRJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 3883134) is [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is ORTYUUSUZXYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-7-12(10)14(17)18-9-13(16)15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 3883134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).