(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid

C8H10N2O4 — CID 130609289

IUPAC(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid
SMILESN[C@@H](Cc1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)1-4-2-6(11)10-7(12)3-4/h2-3,5H,1,9H2,(H,13,14)(H2,10,11,12)/t5-/m0/s1
InChIKeyZLPQPLSFGHVVDJ-YFKPBYRVSA-N
MW198.18 g/mol
LogP-0.97
Rot. Bonds3

About (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid

(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid (PubChem CID 130609289) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid
PubChem CID130609289
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid
SMILESN[C@@H](Cc1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)1-4-2-6(11)10-7(12)3-4/h2-3,5H,1,9H2,(H,13,14)(H2,10,11,12)/t5-/m0/s1
InChIKeyZLPQPLSFGHVVDJ-YFKPBYRVSA-N
XLogP-0.97
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid (CID 130609289) is (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid is N[C@@H](Cc1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid?
The InChIKey is ZLPQPLSFGHVVDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(8(13)14)1-4-2-6(11)10-7(12)3-4/h2-3,5H,1,9H2,(H,13,14)(H2,10,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid?
(2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-hydroxy-6-oxo-1H-pyridin-4-yl)propanoic acid is sourced from PubChem (CID 130609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).