trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

C15H18N2O4 — CID 7776746

IUPACtrans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-13(9)15(20)21-8-14(19)17-12-5-3-4-11(7-12)16-10(2)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13-/m0/s1
InChIKeyAZKCZLDBACBGDM-ZANVPECISA-N
MW290.32 g/mol
LogP1.78
Rot. Bonds5

About trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 7776746) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID7776746
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nametrans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-13(9)15(20)21-8-14(19)17-12-5-3-4-11(7-12)16-10(2)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13-/m0/s1
InChIKeyAZKCZLDBACBGDM-ZANVPECISA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-(3-iodoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23912620
[2-(3-nitroanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3586914
cis-[2-(3-cyanoanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020628
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
trans-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020632
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
[2-(4-bromoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23820553
trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2097887
cis-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 2097889
cis-[2-(2,6-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778354
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
cis-[2-(2,3-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020700

Frequently Asked Questions

What is the IUPAC name of trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate (CID 7776746) is trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)c1.
What is the InChIKey of trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is AZKCZLDBACBGDM-ZANVPECISA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-6-13(9)15(20)21-8-14(19)17-12-5-3-4-11(7-12)16-10(2)18/h3-5,7,9,13H,6,8H2,1-2H3,(H,16,18)(H,17,19)/t9-,13-/m0/s1.
What are the key properties of trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate?
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7776746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).