cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C12H15N3O5 — CID 106321252

IUPACcis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-11(18)15(14-9)6-10(17)13-8-2-1-7(5-8)12(19)20/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,14,16)(H,19,20)/t7-,8+/m1/s1
InChIKeyUAWXCZCSRIMKSY-SFYZADRCSA-N
MW281.27 g/mol
LogP-1.09
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106321252) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106321252
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namecis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-4-11(18)15(14-9)6-10(17)13-8-2-1-7(5-8)12(19)20/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,14,16)(H,19,20)/t7-,8+/m1/s1
InChIKeyUAWXCZCSRIMKSY-SFYZADRCSA-N
XLogP-1.09
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810351
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813087
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897018
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030733
3-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-3-yl]propanoic acid
CID 81721048
5-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 82854568
3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 108107870
cis-(1R,3S)-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173175

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 106321252) is cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cn1[nH]c(=O)ccc1=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UAWXCZCSRIMKSY-SFYZADRCSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-4-11(18)15(14-9)6-10(17)13-8-2-1-7(5-8)12(19)20/h3-4,7-8H,1-2,5-6H2,(H,13,17)(H,14,16)(H,19,20)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).