3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid

C10H12N2O3S — CID 43354856

IUPAC3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)CSc1ccncc1
InChIInChI=1S/C10H12N2O3S/c13-9(12-6-3-10(14)15)7-16-8-1-4-11-5-2-8/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChIKeyJMITUIQDFQFHMF-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.76
Rot. Bonds6

About 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid

3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid (PubChem CID 43354856) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
PubChem CID43354856
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)CSc1ccncc1
InChIInChI=1S/C10H12N2O3S/c13-9(12-6-3-10(14)15)7-16-8-1-4-11-5-2-8/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChIKeyJMITUIQDFQFHMF-UHFFFAOYSA-N
XLogP0.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanedioic acid
CID 60832489
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
2,2-dimethyl-3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 113307726
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 113258479
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The IUPAC name of 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid (CID 43354856) is 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid is O=C(O)CCNC(=O)CSc1ccncc1.
What is the InChIKey of 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
The InChIKey is JMITUIQDFQFHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(12-6-3-10(14)15)7-16-8-1-4-11-5-2-8/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid?
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid is sourced from PubChem (CID 43354856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).