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

C12H15FN2O5S — CID 104935522

IUPAC(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C12H15FN2O5S/c1-7-2-3-8(13)10(6-7)21(19,20)15-9(12(17)18)4-5-11(14)16/h2-3,6,9,15H,4-5H2,1H3,(H2,14,16)(H,17,18)/t9-/m1/s1
InChIKeyPZVXZRKHMWHFRE-SECBINFHSA-N
MW318.33 g/mol
LogP0.13
Rot. Bonds7

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

(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 104935522) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID104935522
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1ccc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C12H15FN2O5S/c1-7-2-3-8(13)10(6-7)21(19,20)15-9(12(17)18)4-5-11(14)16/h2-3,6,9,15H,4-5H2,1H3,(H2,14,16)(H,17,18)/t9-/m1/s1
InChIKeyPZVXZRKHMWHFRE-SECBINFHSA-N
XLogP0.13
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2R)-5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoate
CID 2101775
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid (CID 104935522) is (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid is Cc1ccc(F)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)c1.
What is the InChIKey of (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is PZVXZRKHMWHFRE-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-7-2-3-8(13)10(6-7)21(19,20)15-9(12(17)18)4-5-11(14)16/h2-3,6,9,15H,4-5H2,1H3,(H2,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104935522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).