2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid

C8H10N2O2S — CID 55273449

IUPAC2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
SMILESNC(Cc1ccc[nH]c1=S)C(=O)O
InChIInChI=1S/C8H10N2O2S/c9-6(8(11)12)4-5-2-1-3-10-7(5)13/h1-3,6H,4,9H2,(H,10,13)(H,11,12)
InChIKeyOGZXRYQIPSQZHQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid

2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid (PubChem CID 55273449) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
PubChem CID55273449
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
SMILESNC(Cc1ccc[nH]c1=S)C(=O)O
InChIInChI=1S/C8H10N2O2S/c9-6(8(11)12)4-5-2-1-3-10-7(5)13/h1-3,6H,4,9H2,(H,10,13)(H,11,12)
InChIKeyOGZXRYQIPSQZHQ-UHFFFAOYSA-N
XLogP0.70
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
CID 22326309
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 171108500
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid (CID 55273449) is 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid is NC(Cc1ccc[nH]c1=S)C(=O)O.
What is the InChIKey of 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid?
The InChIKey is OGZXRYQIPSQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-6(8(11)12)4-5-2-1-3-10-7(5)13/h1-3,6H,4,9H2,(H,10,13)(H,11,12).
What are the key properties of 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid?
2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid has a molecular weight of 198.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 55273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).