4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid

C9H16N4O4 — CID 162958029

IUPAC4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid
SMILESCOCOC1C=C(C(=O)O)CC(/N=N/N)C1N
InChIInChI=1S/C9H16N4O4/c1-16-4-17-7-3-5(9(14)15)2-6(8(7)10)12-13-11/h3,6-8H,2,4,10H2,1H3,(H2,11,12)(H,14,15)
InChIKeyVZZHSARKWNEPAY-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.59
Rot. Bonds5

About 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid

4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid (PubChem CID 162958029) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid
PubChem CID162958029
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid
SMILESCOCOC1C=C(C(=O)O)CC(/N=N/N)C1N
InChIInChI=1S/C9H16N4O4/c1-16-4-17-7-3-5(9(14)15)2-6(8(7)10)12-13-11/h3,6-8H,2,4,10H2,1H3,(H2,11,12)(H,14,15)
InChIKeyVZZHSARKWNEPAY-UHFFFAOYSA-N
XLogP-0.59
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,5R)-4,5-diamino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 154639009
methyl (1R,5R,6R)-5-(methoxymethoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 15283971
(3R,4R,5S)-4,5-diamino-3-hydroxycyclohexene-1-carboxylic acid
CID 68821914
methyl 3,4-dihydroxy-5-(methoxymethoxy)cyclohexene-1-carboxylate
CID 76554597
3,4-dihydroxy-5-sulfooxycyclohexene-1-carboxylic acid
CID 131836363
(3R,4R,5S)-4-[acetyl(ethyl)amino]-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid;phosphoric acid
CID 66921999
4-acetamido-5-amino-3-heptoxycyclohexene-1-carboxylic acid
CID 22209881
(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid
CID 169171272
4-hydroxy-5-methyl-3-phosphonooxycyclohexene-1-carboxylic acid
CID 162154749
4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
CID 1095
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
CID 71434284

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid?
The IUPAC name of 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid (CID 162958029) is 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid?
The canonical SMILES for 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid is COCOC1C=C(C(=O)O)CC(/N=N/N)C1N.
What is the InChIKey of 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid?
The InChIKey is VZZHSARKWNEPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-16-4-17-7-3-5(9(14)15)2-6(8(7)10)12-13-11/h3,6-8H,2,4,10H2,1H3,(H2,11,12)(H,14,15).
What are the key properties of 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid?
4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid is sourced from PubChem (CID 162958029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).