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

C11H15N3O4 — CID 54990991

IUPAC(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](C)C(=O)O)c1C
InChIInChI=1S/C11H15N3O4/c1-5-6(2)13-14(4)10(16)8(5)9(15)12-7(3)11(17)18/h7H,1-4H3,(H,12,15)(H,17,18)/t7-/m1/s1
InChIKeyKXAWVKCDQCHQTN-SSDOTTSWSA-N
MW253.26 g/mol
LogP-0.40
Rot. Bonds3

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

(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid (PubChem CID 54990991) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
PubChem CID54990991
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(=O)c(C(=O)N[C@H](C)C(=O)O)c1C
InChIInChI=1S/C11H15N3O4/c1-5-6(2)13-14(4)10(16)8(5)9(15)12-7(3)11(17)18/h7H,1-4H3,(H,12,15)(H,17,18)/t7-/m1/s1
InChIKeyKXAWVKCDQCHQTN-SSDOTTSWSA-N
XLogP-0.40
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
methyl 3-methyl-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoate
CID 43623156
2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
CID 103874313
2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 95632509
3-[ethyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoic acid
CID 62827245
N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 103874335
2,5,6-trimethyl-3-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]pyridazine-4-carboxamide
CID 97250941

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid (CID 54990991) is (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid is Cc1nn(C)c(=O)c(C(=O)N[C@H](C)C(=O)O)c1C.
What is the InChIKey of (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
The InChIKey is KXAWVKCDQCHQTN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5-6(2)13-14(4)10(16)8(5)9(15)12-7(3)11(17)18/h7H,1-4H3,(H,12,15)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid?
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54990991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).