methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate

C8H11N3O3 — CID 114998596

IUPACmethyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1cccnn1
InChIInChI=1S/C8H11N3O3/c1-14-8(13)6(5-12)10-7-3-2-4-9-11-7/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyNTVJAAALQQSAIH-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.58
Rot. Bonds4

About methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate

methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate (PubChem CID 114998596) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
PubChem CID114998596
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1cccnn1
InChIInChI=1S/C8H11N3O3/c1-14-8(13)6(5-12)10-7-3-2-4-9-11-7/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyNTVJAAALQQSAIH-UHFFFAOYSA-N
XLogP-0.58
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
methyl 2-(pyridazin-3-ylmethylamino)butanoate
CID 106895144
3-methyl-2-(pyridazin-3-ylamino)butanoic acid
CID 82239340
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
CID 66115358
N-pentan-3-ylpyridazin-3-amine
CID 62482228
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate (CID 114998596) is methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate is COC(=O)C(CO)Nc1cccnn1.
What is the InChIKey of methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate?
The InChIKey is NTVJAAALQQSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-8(13)6(5-12)10-7-3-2-4-9-11-7/h2-4,6,12H,5H2,1H3,(H,10,11).
What are the key properties of methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate?
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate is sourced from PubChem (CID 114998596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).