2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid

C12H16N2O3S — CID 70696313

IUPAC2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid
SMILESCC(C)(C)Sc1ccc(C(=O)NCC(=O)O)nc1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)18-8-4-5-9(13-6-8)11(17)14-7-10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyHQVKAJWJRKSXOP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.79
Rot. Bonds4

About 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid

2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid (PubChem CID 70696313) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid
PubChem CID70696313
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid
SMILESCC(C)(C)Sc1ccc(C(=O)NCC(=O)O)nc1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)18-8-4-5-9(13-6-8)11(17)14-7-10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyHQVKAJWJRKSXOP-UHFFFAOYSA-N
XLogP1.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid (CID 70696313) is 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid is CC(C)(C)Sc1ccc(C(=O)NCC(=O)O)nc1.
What is the InChIKey of 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid?
The InChIKey is HQVKAJWJRKSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2,3)18-8-4-5-9(13-6-8)11(17)14-7-10(15)16/h4-6H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid?
2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid has a molecular weight of 268.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylsulfanylpyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 70696313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).