6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

C10H14N6O4 — CID 126572368

IUPAC6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILES[N-]=[N+]=NN(C(CCCCN)C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N6O4/c11-6-2-1-3-7(10(19)20)16(14-13-12)15-8(17)4-5-9(15)18/h4-5,7H,1-3,6,11H2,(H,19,20)
InChIKeyDFEKAUQPCZORRI-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.06
Rot. Bonds8

About 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid

6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (PubChem CID 126572368) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
PubChem CID126572368
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
SMILES[N-]=[N+]=NN(C(CCCCN)C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N6O4/c11-6-2-1-3-7(10(19)20)16(14-13-12)15-8(17)4-5-9(15)18/h4-5,7H,1-3,6,11H2,(H,19,20)
InChIKeyDFEKAUQPCZORRI-UHFFFAOYSA-N
XLogP-0.06
TPSA152.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

6-amino-2-[azido(phenylmethoxycarbonyl)amino]hexanoic acid
CID 77179098
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
(2,5-dioxopyrrol-1-yl) (2S)-6-amino-2-(2-diazohydrazinyl)hexanoate
CID 126572367
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid
CID 135315251
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
(2R)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 140938922
6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 176610853
(4S)-4,8-diamino-2-[4-(2,5-dioxopyrrol-1-yl)butyl]-3-oxooctanoic acid
CID 66662829
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
CID 25153752

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid (CID 126572368) is 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is [N-]=[N+]=NN(C(CCCCN)C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
The InChIKey is DFEKAUQPCZORRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c11-6-2-1-3-7(10(19)20)16(14-13-12)15-8(17)4-5-9(15)18/h4-5,7H,1-3,6,11H2,(H,19,20).
What are the key properties of 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid?
6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid has a molecular weight of 282.26 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid is sourced from PubChem (CID 126572368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).