2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid

C12H17N3O4 — CID 79807108

IUPAC2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1ccc(C(=O)OC)nn1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-12(5-2,11(17)18)13-9-7-6-8(14-15-9)10(16)19-3/h6-7H,4-5H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyOTJFSEOIUWYUQT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.32
Rot. Bonds6

About 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid

2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid (PubChem CID 79807108) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
PubChem CID79807108
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1ccc(C(=O)OC)nn1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-4-12(5-2,11(17)18)13-9-7-6-8(14-15-9)10(16)19-3/h6-7H,4-5H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyOTJFSEOIUWYUQT-UHFFFAOYSA-N
XLogP1.32
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
CID 106097307
methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
CID 62006057
6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
CID 65041396
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid (CID 79807108) is 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid is CCC(CC)(Nc1ccc(C(=O)OC)nn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid?
The InChIKey is OTJFSEOIUWYUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-12(5-2,11(17)18)13-9-7-6-8(14-15-9)10(16)19-3/h6-7H,4-5H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid?
2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid is sourced from PubChem (CID 79807108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).