(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid

C9H11NO4 — CID 95374823

IUPAC(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
SMILESC[C@](O)(Cn1ccccc1=O)C(=O)O
InChIInChI=1S/C9H11NO4/c1-9(14,8(12)13)6-10-5-3-2-4-7(10)11/h2-5,14H,6H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCZLHLNBYONOFSE-VIFPVBQESA-N
MW197.19 g/mol
LogP-0.32
Rot. Bonds3

About (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid

(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid (PubChem CID 95374823) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
PubChem CID95374823
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
SMILESC[C@](O)(Cn1ccccc1=O)C(=O)O
InChIInChI=1S/C9H11NO4/c1-9(14,8(12)13)6-10-5-3-2-4-7(10)11/h2-5,14H,6H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCZLHLNBYONOFSE-VIFPVBQESA-N
XLogP-0.32
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid (CID 95374823) is (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid is C[C@](O)(Cn1ccccc1=O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is CZLHLNBYONOFSE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11NO4/c1-9(14,8(12)13)6-10-5-3-2-4-7(10)11/h2-5,14H,6H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid?
(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 95374823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).