(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid

C8H8N2O3 — CID 88932015

IUPAC(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
SMILESO=N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C8H8N2O3/c11-8(12)7(10-13)5-6-3-1-2-4-9-6/h1-4,7H,5H2,(H,11,12)/t7-/m0/s1
InChIKeyNTMHAHJOIZAKBJ-ZETCQYMHSA-N
MW180.16 g/mol
LogP0.84
Rot. Bonds4

About (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid

(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid (PubChem CID 88932015) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
PubChem CID88932015
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
SMILESO=N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C8H8N2O3/c11-8(12)7(10-13)5-6-3-1-2-4-9-6/h1-4,7H,5H2,(H,11,12)/t7-/m0/s1
InChIKeyNTMHAHJOIZAKBJ-ZETCQYMHSA-N
XLogP0.84
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
CID 171093339
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285

Frequently Asked Questions

What is the IUPAC name of (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid (CID 88932015) is (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid is O=N[C@@H](Cc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid?
The InChIKey is NTMHAHJOIZAKBJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-8(12)7(10-13)5-6-3-1-2-4-9-6/h1-4,7H,5H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid?
(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid has a molecular weight of 180.16 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-nitroso-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 88932015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).