(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate

C8H10N2O3 — CID 34177358

IUPAC(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
SMILES[NH3+][C@@H](c1cccnc1)[C@H](O)C(=O)[O-]
InChIInChI=1S/C8H10N2O3/c9-6(7(11)8(12)13)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13)/t6-,7-/m0/s1
InChIKeyJPDSLQNCILYHCW-BQBZGAKWSA-N
MW182.18 g/mol
LogP-2.52
Rot. Bonds3

About (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate

(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate (PubChem CID 34177358) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Name(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
PubChem CID34177358
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
SMILES[NH3+][C@@H](c1cccnc1)[C@H](O)C(=O)[O-]
InChIInChI=1S/C8H10N2O3/c9-6(7(11)8(12)13)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13)/t6-,7-/m0/s1
InChIKeyJPDSLQNCILYHCW-BQBZGAKWSA-N
XLogP-2.52
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
(2S,3S)-3-azaniumyl-2-hydroxy-3-(3-methylphenyl)propanoate
CID 40787377
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
2,2-dipyridin-3-ylethanol
CID 57450821
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
CID 22714112
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
CID 116824852

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate?
The IUPAC name of (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate (CID 34177358) is (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate.
What is the SMILES notation for (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate?
The canonical SMILES for (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate is [NH3+][C@@H](c1cccnc1)[C@H](O)C(=O)[O-].
What is the InChIKey of (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate?
The InChIKey is JPDSLQNCILYHCW-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(7(11)8(12)13)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate?
(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate has a molecular weight of 182.18 g/mol, XLogP of -2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 34177358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).