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

C12H15N3O5 — CID 43655404

IUPAC2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)6-11(18)14(7-12(19)20)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyHDJLBDMRSCIQMK-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.14
Rot. Bonds6

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

2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (PubChem CID 43655404) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
PubChem CID43655404
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)6-11(18)14(7-12(19)20)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20)
InChIKeyHDJLBDMRSCIQMK-UHFFFAOYSA-N
XLogP-1.14
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 ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (CID 43655404) is 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The InChIKey is HDJLBDMRSCIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-4-10(17)15(13-9)6-11(18)14(7-12(19)20)5-8-1-2-8/h3-4,8H,1-2,5-7H2,(H,13,16)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).