(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H14N2O5 — CID 104772709

IUPAC(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c1-6-2-3-8(10(16)13-6)11(17)14-5-7(15)4-9(14)12(18)19/h2-3,7,9,15H,4-5H2,1H3,(H,13,16)(H,18,19)/t7-,9-/m0/s1
InChIKeyDKAXTOKSJCIUNE-CBAPKCEASA-N
MW266.25 g/mol
LogP-0.66
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104772709) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104772709
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c1-6-2-3-8(10(16)13-6)11(17)14-5-7(15)4-9(14)12(18)19/h2-3,7,9,15H,4-5H2,1H3,(H,13,16)(H,18,19)/t7-,9-/m0/s1
InChIKeyDKAXTOKSJCIUNE-CBAPKCEASA-N
XLogP-0.66
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 166179285
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 104772709) is (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DKAXTOKSJCIUNE-CBAPKCEASA-N. The full InChI is InChI=1S/C12H14N2O5/c1-6-2-3-8(10(16)13-6)11(17)14-5-7(15)4-9(14)12(18)19/h2-3,7,9,15H,4-5H2,1H3,(H,13,16)(H,18,19)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104772709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).