3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid

C12H15N3O5 — CID 60845757

IUPAC3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CC1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14(8-1-2-8)6-5-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyJZDHIOHRCYLZAE-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.00
Rot. Bonds6

About 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid

3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (PubChem CID 60845757) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
PubChem CID60845757
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CC1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14(8-1-2-8)6-5-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyJZDHIOHRCYLZAE-UHFFFAOYSA-N
XLogP-1.00
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
2-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 54946253
methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoate
CID 54978349
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008304
3-[tert-butyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 60825763
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60826283
2-[butan-2-yl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 60829222
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831051
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60832424
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoic acid
CID 60988544

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid (CID 60845757) is 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid is O=C(O)CCN(C(=O)Cn1[nH]c(=O)ccc1=O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
The InChIKey is JZDHIOHRCYLZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)7-11(18)14(8-1-2-8)6-5-12(19)20/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20).
What are the key properties of 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 60845757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).