(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 121496676

IUPAC(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)c(O)cn1
InChIInChI=1S/C13H16N2O4/c1-8-6-9(10(16)7-14-8)11(17)15-5-3-4-13(15,2)12(18)19/h6-7,16H,3-5H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyLKAQKTMFGCFVLL-ZDUSSCGKSA-N
MW264.28 g/mol
LogP1.17
Rot. Bonds2

About (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid

(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 121496676) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID121496676
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)c(O)cn1
InChIInChI=1S/C13H16N2O4/c1-8-6-9(10(16)7-14-8)11(17)15-5-3-4-13(15,2)12(18)19/h6-7,16H,3-5H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyLKAQKTMFGCFVLL-ZDUSSCGKSA-N
XLogP1.17
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 79749422
1-(5-amino-2-bromobenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115297368
1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114035196
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595293
1-(4-bromo-2-methoxybenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115368656
1-(4-bromo-3-methylbenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 113396644
1-(6-bromopyridine-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595142
1-(5-iodothiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79685652
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 95851895
1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244783

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 121496676) is (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)c(O)cn1.
What is the InChIKey of (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LKAQKTMFGCFVLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-6-9(10(16)7-14-8)11(17)15-5-3-4-13(15,2)12(18)19/h6-7,16H,3-5H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid?
(2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-hydroxy-2-methylpyridine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 121496676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).