methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate

C13H15F2NO3 — CID 82349449

IUPACmethyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO3/c1-16-11(5-6-12(17)19-2)13(18)9-7-8(14)3-4-10(9)15/h3-4,7,11,16H,5-6H2,1-2H3
InChIKeyFOSLKQDMENKNRS-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.69
Rot. Bonds6

About methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate

methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate (PubChem CID 82349449) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
PubChem CID82349449
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Namemethyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(=O)OC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO3/c1-16-11(5-6-12(17)19-2)13(18)9-7-8(14)3-4-10(9)15/h3-4,7,11,16H,5-6H2,1-2H3
InChIKeyFOSLKQDMENKNRS-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,5-difluorophenyl)-5-oxo-4-(prop-2-enylamino)pentanoate
CID 82349448
methyl 5-(2-methoxy-4,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82350028
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82349209
methyl 4-(methylamino)-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 82348948
methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
CID 82348457
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
dimethyl (2R)-2-[(2-fluoro-5-iodobenzoyl)amino]pentanedioate
CID 67868101
methyl 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoate
CID 82348065

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate?
The IUPAC name of methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate (CID 82349449) is methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate?
The canonical SMILES for methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate is CNC(CCC(=O)OC)C(=O)c1cc(F)ccc1F.
What is the InChIKey of methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate?
The InChIKey is FOSLKQDMENKNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-16-11(5-6-12(17)19-2)13(18)9-7-8(14)3-4-10(9)15/h3-4,7,11,16H,5-6H2,1-2H3.
What are the key properties of methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate?
methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate has a molecular weight of 271.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 82349449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).