3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid

C11H16N4O3 — CID 106897084

IUPAC3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
SMILESCC(CNC(=O)NCc1cccnn1)CC(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-2-4-14-15-9/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyHEUNRFGVSVDMQB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.39
Rot. Bonds6

About 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid

3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid (PubChem CID 106897084) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
PubChem CID106897084
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
SMILESCC(CNC(=O)NCc1cccnn1)CC(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-2-4-14-15-9/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyHEUNRFGVSVDMQB-UHFFFAOYSA-N
XLogP0.39
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236
(2S)-3-methyl-2-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid
CID 106897193
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
1-(pyridazin-3-ylmethyl)-3-[(4-trimethylsilylphenyl)methyl]urea
CID 122154804
3-[(pyridazin-3-ylmethylcarbamoylamino)methyl]benzoic acid
CID 106897201
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid (CID 106897084) is 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid is CC(CNC(=O)NCc1cccnn1)CC(=O)O.
What is the InChIKey of 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is HEUNRFGVSVDMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(5-10(16)17)6-12-11(18)13-7-9-3-2-4-14-15-9/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid?
3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridazin-3-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 106897084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).