(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid

C11H15N3O5 — CID 80749718

IUPAC(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](CO)C(=O)O)c1C
InChIInChI=1S/C11H15N3O5/c1-5-6(2)13-14(3)10(17)8(5)9(16)12-7(4-15)11(18)19/h7,15H,4H2,1-3H3,(H,12,16)(H,18,19)/t7-/m1/s1
InChIKeyOBJGNBRRKABRJT-SSDOTTSWSA-N
MW269.26 g/mol
LogP-1.43
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid (PubChem CID 80749718) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
PubChem CID80749718
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](CO)C(=O)O)c1C
InChIInChI=1S/C11H15N3O5/c1-5-6(2)13-14(3)10(17)8(5)9(16)12-7(4-15)11(18)19/h7,15H,4H2,1-3H3,(H,12,16)(H,18,19)/t7-/m1/s1
InChIKeyOBJGNBRRKABRJT-SSDOTTSWSA-N
XLogP-1.43
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid (CID 80749718) is (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid is Cc1nn(C)c(=O)c(C(=O)N[C@H](CO)C(=O)O)c1C.
What is the InChIKey of (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The InChIKey is OBJGNBRRKABRJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-6(2)13-14(3)10(17)8(5)9(16)12-7(4-15)11(18)19/h7,15H,4H2,1-3H3,(H,12,16)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 80749718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).