2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid

C11H17N3O4S — CID 82222841

IUPAC2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)c1cncc(N)c1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-7(2)3-10(11(15)16)14-19(17,18)9-4-8(12)5-13-6-9/h4-7,10,14H,3,12H2,1-2H3,(H,15,16)
InChIKeyJLXUIKKYVDLUKW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.44
Rot. Bonds6

About 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid

2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 82222841) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID82222841
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)c1cncc(N)c1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-7(2)3-10(11(15)16)14-19(17,18)9-4-8(12)5-13-6-9/h4-7,10,14H,3,12H2,1-2H3,(H,15,16)
InChIKeyJLXUIKKYVDLUKW-UHFFFAOYSA-N
XLogP0.44
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(pyridin-3-ylsulfonylamino)butanedioic acid
CID 134149576
methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate
CID 122381292
methyl (2S,3R)-3-methyl-2-(pyridin-2-ylsulfonylamino)pentanoate
CID 176425664
methyl (2S,3S)-3-methyl-2-(pyridin-2-ylsulfonylamino)pentanoate
CID 176425713
2-Cyclohexyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]acetic acid
CID 61783393
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoic acid
CID 61783563
(2S,3S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylpentanoic acid
CID 61783564
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 61783741
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 61783742
2-Cyclopropyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoic acid
CID 61783917
(2S)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]pentanedioic acid
CID 61783920
2-[(5-Fluoro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61784264

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid (CID 82222841) is 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid is CC(C)CC(NS(=O)(=O)c1cncc(N)c1)C(=O)O.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is JLXUIKKYVDLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(2)3-10(11(15)16)14-19(17,18)9-4-8(12)5-13-6-9/h4-7,10,14H,3,12H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82222841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).