[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

C14H17NO3 — CID 2429801

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(CNC(=O)COC(=O)C2CC2)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)8-15-13(16)9-18-14(17)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyMEJNUZUFEIYXSC-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.56
Rot. Bonds5

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2429801) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2429801
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(CNC(=O)COC(=O)C2CC2)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)8-15-13(16)9-18-14(17)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyMEJNUZUFEIYXSC-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2079530
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 2435628
[2-(Benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547368
[2-(Benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 3889313
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 4445443
[2-(Benzylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 2447792
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 4235031
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4336514
4-O-[2-(benzylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6393417
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (CID 2429801) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is Cc1ccc(CNC(=O)COC(=O)C2CC2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is MEJNUZUFEIYXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)8-15-13(16)9-18-14(17)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2429801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).