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

C10H11N3O5 — CID 64713496

IUPAC(2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O5/c14-5-3-7(10(17)18)13(4-5)9(16)6-1-2-8(15)12-11-6/h1-2,5,7,14H,3-4H2,(H,12,15)(H,17,18)/t5-,7-/m0/s1
InChIKeyGGBULWWJHNSRJA-FSPLSTOPSA-N
MW253.21 g/mol
LogP-1.57
Rot. Bonds2

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

(2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 64713496) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID64713496
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N3O5/c14-5-3-7(10(17)18)13(4-5)9(16)6-1-2-8(15)12-11-6/h1-2,5,7,14H,3-4H2,(H,12,15)(H,17,18)/t5-,7-/m0/s1
InChIKeyGGBULWWJHNSRJA-FSPLSTOPSA-N
XLogP-1.57
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 64713496) is (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GGBULWWJHNSRJA-FSPLSTOPSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-5-3-7(10(17)18)13(4-5)9(16)6-1-2-8(15)12-11-6/h1-2,5,7,14H,3-4H2,(H,12,15)(H,17,18)/t5-,7-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).