(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate

C10H14N6O4 — CID 126572367

IUPAC(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
SMILES[N-]=[N+]=NN[C@@H](CCCCN)C(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C10H14N6O4/c11-6-2-1-3-7(13-15-14-12)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,13H,1-3,6,11H2/t7-/m0/s1
InChIKeyMIAZGROZTNJBCW-ZETCQYMHSA-N
MW282.26 g/mol
LogP-0.32
Rot. Bonds8

About (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate

(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate (PubChem CID 126572367) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
PubChem CID126572367
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
SMILES[N-]=[N+]=NN[C@@H](CCCCN)C(=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C10H14N6O4/c11-6-2-1-3-7(13-15-14-12)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,13H,1-3,6,11H2/t7-/m0/s1
InChIKeyMIAZGROZTNJBCW-ZETCQYMHSA-N
XLogP-0.32
TPSA150.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate with MolForge

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Related Compounds

6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 126572368
6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 176610853
(2R)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 140938922
2-(2-diazohydrazinyl)hexanoic acid
CID 89287539
(2,5-dioxopyrrol-1-yl) 2-(diaminomethylideneamino)decanoate
CID 174690202
(2S)-6-amino-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 69465675
(2S)-6-amino-2-[(4-azidophenoxy)carbonylamino]hexanoic acid
CID 175456297
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid
CID 175888302
(2,5-dioxopyrrolidin-1-yl) (2S)-6-azido-2-[(4-benzoylbenzoyl)amino]hexanoate
CID 101483542
(2,5-dioxopyrrol-1-yl) 7-methyloctanoate
CID 138576057

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate (CID 126572367) is (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate is [N-]=[N+]=NN[C@@H](CCCCN)C(=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate?
The InChIKey is MIAZGROZTNJBCW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N6O4/c11-6-2-1-3-7(13-15-14-12)10(19)20-16-8(17)4-5-9(16)18/h4-5,7,13H,1-3,6,11H2/t7-/m0/s1.
What are the key properties of (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate?
(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate has a molecular weight of 282.26 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate is sourced from PubChem (CID 126572367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).