(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

C10H16N4O2 — CID 104893295

IUPAC(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)8(11)9(16)12-6-4-5-7(15)14-13-6/h4-5,8H,11H2,1-3H3,(H,14,15)(H,12,13,16)/t8-/m0/s1
InChIKeyLBEBOYKMTNDQAP-QMMMGPOBSA-N
MW224.26 g/mol
LogP0.08
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 104893295) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID104893295
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O2/c1-10(2,3)8(11)9(16)12-6-4-5-7(15)14-13-6/h4-5,8H,11H2,1-3H3,(H,14,15)(H,12,13,16)/t8-/m0/s1
InChIKeyLBEBOYKMTNDQAP-QMMMGPOBSA-N
XLogP0.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 104893295) is (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is LBEBOYKMTNDQAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)8(11)9(16)12-6-4-5-7(15)14-13-6/h4-5,8H,11H2,1-3H3,(H,14,15)(H,12,13,16)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 224.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 104893295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).