2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid

C10H13Cl2N3O2 — CID 135393300

IUPAC2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(Nc1cc(Cl)nnc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-5(2)8(10(16)17)13-6-4-7(11)14-15-9(6)12/h4-5,8H,3H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyZEBFGHNQHWJDIY-UHFFFAOYSA-N
MW278.14 g/mol
LogP2.69
Rot. Bonds5

About 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid

2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid (PubChem CID 135393300) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid
PubChem CID135393300
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(Nc1cc(Cl)nnc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-5(2)8(10(16)17)13-6-4-7(11)14-15-9(6)12/h4-5,8H,3H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyZEBFGHNQHWJDIY-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[(4,6-diethylpyrimidin-2-yl)amino]-3-methylpentanoic acid
CID 122050557
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964592
(2S,3S)-3-methyl-2-[(2,4,5-trichlorophenyl)carbamoylamino]pentanoic acid
CID 61181915
(2S,3S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 122050450
(2S,3S)-2-(2-bromo-4-cyanoanilino)-3-methylpentanoic acid
CID 122050341
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
(2S,3S)-3-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]pentanoic acid
CID 122099830
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid (CID 135393300) is 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid is CCC(C)C(Nc1cc(Cl)nnc1Cl)C(=O)O.
What is the InChIKey of 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid?
The InChIKey is ZEBFGHNQHWJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-3-5(2)8(10(16)17)13-6-4-7(11)14-15-9(6)12/h4-5,8H,3H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid?
2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid has a molecular weight of 278.14 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloropyridazin-4-yl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 135393300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).