(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid

C11H14N4O6 — CID 107830015

IUPAC(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H14N4O6/c12-7(16)2-1-6(11(20)21)13-9(18)5-15-10(19)4-3-8(17)14-15/h3-4,6H,1-2,5H2,(H2,12,16)(H,13,18)(H,14,17)(H,20,21)/t6-/m1/s1
InChIKeyOIXHGNZVRZOMDS-ZCFIWIBFSA-N
MW298.25 g/mol
LogP-2.63
Rot. Bonds7

About (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 107830015) has the molecular formula C11H14N4O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID107830015
Molecular FormulaC11H14N4O6
Molecular Weight298.25 g/mol
Exact Mass298.09
IUPAC Name(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C11H14N4O6/c12-7(16)2-1-6(11(20)21)13-9(18)5-15-10(19)4-3-8(17)14-15/h3-4,6H,1-2,5H2,(H2,12,16)(H,13,18)(H,14,17)(H,20,21)/t6-/m1/s1
InChIKeyOIXHGNZVRZOMDS-ZCFIWIBFSA-N
XLogP-2.63
TPSA164.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid (CID 107830015) is (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is OIXHGNZVRZOMDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N4O6/c12-7(16)2-1-6(11(20)21)13-9(18)5-15-10(19)4-3-8(17)14-15/h3-4,6H,1-2,5H2,(H2,12,16)(H,13,18)(H,14,17)(H,20,21)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 298.25 g/mol, XLogP of -2.63, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).