(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H16N2O5 — CID 61151671

IUPAC(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CC(O)C[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-6-3-7(2)14-11(17)10(6)12(18)15-5-8(16)4-9(15)13(19)20/h3,8-9,16H,4-5H2,1-2H3,(H,14,17)(H,19,20)/t8?,9-/m0/s1
InChIKeyZXNZXLQHVKLJOJ-GKAPJAKFSA-N
MW280.28 g/mol
LogP-0.35
Rot. Bonds2

About (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61151671) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61151671
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CC(O)C[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-6-3-7(2)14-11(17)10(6)12(18)15-5-8(16)4-9(15)13(19)20/h3,8-9,16H,4-5H2,1-2H3,(H,14,17)(H,19,20)/t8?,9-/m0/s1
InChIKeyZXNZXLQHVKLJOJ-GKAPJAKFSA-N
XLogP-0.35
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(3S)-3-[[1-[2-[[(2Z,3Z,5Z)-2-butan-2-ylidenehepta-3,5-dienoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-hydroxypentanoic acid;methane
CID 141964813
4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 24690199
4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24691014
4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24694013
4-methoxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24696320
4-hydroxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24696961
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24699380
(2S,4R)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170743
(2S,4S)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170745
(2R,4R)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170747
(2S,4R)-4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28172872
(2S,4S)-4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28172875

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 61151671) is (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CC(O)C[C@H]2C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZXNZXLQHVKLJOJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-6-3-7(2)14-11(17)10(6)12(18)15-5-8(16)4-9(15)13(19)20/h3,8-9,16H,4-5H2,1-2H3,(H,14,17)(H,19,20)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).