2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid

C9H12N2O2S — CID 61318641

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
SMILESCCC(Sc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-2-7(9(12)13)14-8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13)
InChIKeyJXECIEQOHNVLDU-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.62
Rot. Bonds4

About 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid

2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid (PubChem CID 61318641) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
PubChem CID61318641
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
SMILESCCC(Sc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-2-7(9(12)13)14-8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13)
InChIKeyJXECIEQOHNVLDU-UHFFFAOYSA-N
XLogP1.62
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
CID 83038185
2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
CID 60885424
1-(5-amino-2-pyridinyl)-2-ethylbutan-1-one
CID 116605325
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid
CID 82024659
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
6-methylsulfanylpyridin-3-amine
CID 10261179

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid (CID 61318641) is 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid is CCC(Sc1ccc(N)cn1)C(=O)O.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid?
The InChIKey is JXECIEQOHNVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-7(9(12)13)14-8-4-3-6(10)5-11-8/h3-5,7H,2,10H2,1H3,(H,12,13).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid?
2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid is sourced from PubChem (CID 61318641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).