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

C13H15FN2O4 — CID 107830031

IUPAC(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
SMILESCc1ccc(F)c(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H15FN2O4/c1-7-2-3-9(14)8(6-7)12(18)16-10(13(19)20)4-5-11(15)17/h2-3,6,10H,4-5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyUDBZJXLEFVVBBX-SNVBAGLBSA-N
MW282.27 g/mol
LogP0.58
Rot. Bonds6

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

(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid (PubChem CID 107830031) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
PubChem CID107830031
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
SMILESCc1ccc(F)c(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H15FN2O4/c1-7-2-3-9(14)8(6-7)12(18)16-10(13(19)20)4-5-11(15)17/h2-3,6,10H,4-5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyUDBZJXLEFVVBBX-SNVBAGLBSA-N
XLogP0.58
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906231
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 62515997
(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 62509807
(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 29054204
2-[(2-bromo-5-methylbenzoyl)amino]pentanedioic acid
CID 81110365
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid (CID 107830031) is (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid is Cc1ccc(F)c(C(=O)N[C@H](CCC(N)=O)C(=O)O)c1.
What is the InChIKey of (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is UDBZJXLEFVVBBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-7-2-3-9(14)8(6-7)12(18)16-10(13(19)20)4-5-11(15)17/h2-3,6,10H,4-5H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 282.27 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).