(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H13N3O4 — CID 104742427

IUPAC(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1cccnc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13N3O4/c12-7-2-1-3-13-9(7)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5,12H2,(H,17,18)/t6-,8-/m0/s1
InChIKeyFECYTVOQAIHSDI-XPUUQOCRSA-N
MW251.24 g/mol
LogP-0.68
Rot. Bonds2

About (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 104742427) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID104742427
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1cccnc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13N3O4/c12-7-2-1-3-13-9(7)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5,12H2,(H,17,18)/t6-,8-/m0/s1
InChIKeyFECYTVOQAIHSDI-XPUUQOCRSA-N
XLogP-0.68
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 43356945
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
(2S,4R)-4-hydroxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63856027
1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62687823
(2R,4R)-4-hydroxy-1-(pyrimidin-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999486
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62792655
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153107

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 104742427) is (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Nc1cccnc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FECYTVOQAIHSDI-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-7-2-1-3-13-9(7)10(16)14-5-6(15)4-8(14)11(17)18/h1-3,6,8,15H,4-5,12H2,(H,17,18)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104742427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).