3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid

C12H17N3O4 — CID 119207394

IUPAC3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(C(=O)N(CCC(=O)O)C(C)C)nn1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(16)17)12(18)9-4-5-10(19-3)14-13-9/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyWKIGMFWFZLATOW-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.81
Rot. Bonds6

About 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid

3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 119207394) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID119207394
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(C(=O)N(CCC(=O)O)C(C)C)nn1
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(16)17)12(18)9-4-5-10(19-3)14-13-9/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyWKIGMFWFZLATOW-UHFFFAOYSA-N
XLogP0.81
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520012
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810
6-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyridazine-3-carboxamide
CID 62243163
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
CID 103373127
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207123
N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
CID 90509364
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
3-[[1-(2-bromophenyl)triazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 75429062

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid (CID 119207394) is 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid is COc1ccc(C(=O)N(CCC(=O)O)C(C)C)nn1.
What is the InChIKey of 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is WKIGMFWFZLATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)15(7-6-11(16)17)12(18)9-4-5-10(19-3)14-13-9/h4-5,8H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).