(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid

C10H14N2O4S — CID 104935414

IUPAC(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-4-9(10(13)14)12-17(15,16)8-5-3-6-11-7-8/h3,5-7,9,12H,2,4H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyWPQQCPLSDKLXDO-SECBINFHSA-N
MW258.30 g/mol
LogP0.61
Rot. Bonds6

About (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid

(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid (PubChem CID 104935414) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
PubChem CID104935414
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-4-9(10(13)14)12-17(15,16)8-5-3-6-11-7-8/h3,5-7,9,12H,2,4H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyWPQQCPLSDKLXDO-SECBINFHSA-N
XLogP0.61
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
CID 82222840
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
(2R)-2-(isoquinolin-5-ylsulfonylamino)pentanoic acid
CID 104935427
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
CID 104935432
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
CID 43631243
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)pentanoic acid
CID 104934882
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid (CID 104935414) is (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid is CCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)O.
What is the InChIKey of (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid?
The InChIKey is WPQQCPLSDKLXDO-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-4-9(10(13)14)12-17(15,16)8-5-3-6-11-7-8/h3,5-7,9,12H,2,4H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid?
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 104935414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).