6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid

C15H26N4O6 — CID 70536332

IUPAC6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid
SMILESNCCCCC(NC1CCN2CCCC(OC(=O)O)N2C1=O)C(=O)O
InChIInChI=1S/C15H26N4O6/c16-7-2-1-4-11(14(21)22)17-10-6-9-18-8-3-5-12(25-15(23)24)19(18)13(10)20/h10-12,17H,1-9,16H2,(H,21,22)(H,23,24)
InChIKeyLUJJRCGTJIAKIE-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.21
Rot. Bonds8

About 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid

6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid (PubChem CID 70536332) has the molecular formula C15H26N4O6 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid
PubChem CID70536332
Molecular FormulaC15H26N4O6
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid
SMILESNCCCCC(NC1CCN2CCCC(OC(=O)O)N2C1=O)C(=O)O
InChIInChI=1S/C15H26N4O6/c16-7-2-1-4-11(14(21)22)17-10-6-9-18-8-3-5-12(25-15(23)24)19(18)13(10)20/h10-12,17H,1-9,16H2,(H,21,22)(H,23,24)
InChIKeyLUJJRCGTJIAKIE-UHFFFAOYSA-N
XLogP-0.21
TPSA145.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid
CID 21273928
(2S)-6-amino-2-[[(3S)-1-[(1S)-1-carboxyethyl]-2-oxoazepan-3-yl]amino]hexanoic acid
CID 18605785
[(4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-4-yl] hydrogen carbonate
CID 70536871
3-[[1-carboxy-5-(3-phenylpropanoylamino)pentyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid
CID 21273916
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
CID 106257611
7-[(1-carboxy-3-phenylpropyl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrate
CID 146160118
9-amino-2-[[1-(carboxymethyl)-2-oxo-6-phenylazepan-3-yl]amino]nonanoic acid
CID 14301786
(2S)-6-amino-2-[[(2S)-1-(hydroxymethyl)pyrrolidine-2-carbonyl]oxymethylamino]hexanoic acid
CID 67686404
6-amino-2-[[(3S)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]hexanoic acid
CID 54551262
(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrochloride
CID 70393319
(2S)-8-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]octanoic acid
CID 70044349

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid (CID 70536332) is 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid is NCCCCC(NC1CCN2CCCC(OC(=O)O)N2C1=O)C(=O)O.
What is the InChIKey of 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid?
The InChIKey is LUJJRCGTJIAKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O6/c16-7-2-1-4-11(14(21)22)17-10-6-9-18-8-3-5-12(25-15(23)24)19(18)13(10)20/h10-12,17H,1-9,16H2,(H,21,22)(H,23,24).
What are the key properties of 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid?
6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid has a molecular weight of 358.40 g/mol, XLogP of -0.21, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(6-carboxyoxy-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 70536332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).