2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

C14H16FNO5 — CID 82780387

IUPAC2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C14H16FNO5/c1-8-3-4-10(15)9(7-8)13(18)16-11(14(19)20)5-6-12(17)21-2/h3-4,7,11H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNEWCIMZQXWKBPU-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.27
Rot. Bonds6

About 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82780387) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82780387
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C14H16FNO5/c1-8-3-4-10(15)9(7-8)13(18)16-11(14(19)20)5-6-12(17)21-2/h3-4,7,11H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNEWCIMZQXWKBPU-UHFFFAOYSA-N
XLogP1.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 62515997
(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906231
(2S)-2-[(2-fluoro-4-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820252
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82780387) is 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is NEWCIMZQXWKBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-8-3-4-10(15)9(7-8)13(18)16-11(14(19)20)5-6-12(17)21-2/h3-4,7,11H,5-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 297.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82780387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).