(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O5 — CID 64712320

IUPAC(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1N=C(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CCC1=O
InChIInChI=1S/C11H15N3O5/c1-13-9(16)3-2-7(12-13)10(17)14-5-6(15)4-8(14)11(18)19/h6,8,15H,2-5H2,1H3,(H,18,19)/t6-,8-/m0/s1
InChIKeyRMWVUWZXXPVZIJ-XPUUQOCRSA-N
MW269.26 g/mol
LogP-1.36
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 64712320) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID64712320
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1N=C(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CCC1=O
InChIInChI=1S/C11H15N3O5/c1-13-9(16)3-2-7(12-13)10(17)14-5-6(15)4-8(14)11(18)19/h6,8,15H,2-5H2,1H3,(H,18,19)/t6-,8-/m0/s1
InChIKeyRMWVUWZXXPVZIJ-XPUUQOCRSA-N
XLogP-1.36
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 66052776
6-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 97140187
(2R,3R)-2-methyl-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 122116543
6-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94051421
(2R)-4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholine-2-carboxylic acid
CID 129366643
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94185221
(2S,4R)-4-hydroxy-1-(1-methyl-5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844018
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95152464
(2S,4S)-4-hydroxy-1-(2,3,5-triiodobenzoyl)pyrrolidine-2-carboxylic acid
CID 64713169

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 64712320) is (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is CN1N=C(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CCC1=O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RMWVUWZXXPVZIJ-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-13-9(16)3-2-7(12-13)10(17)14-5-6(15)4-8(14)11(18)19/h6,8,15H,2-5H2,1H3,(H,18,19)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).