2,5-diamino-6-iminonon-8-enoic acid

C9H17N3O2 — CID 152781485

IUPAC2,5-diamino-6-iminonon-8-enoic acid
SMILES[H]/N=C(\CC=C)C(N)CCC(N)C(=O)O
InChIInChI=1S/C9H17N3O2/c1-2-3-6(10)7(11)4-5-8(12)9(13)14/h2,7-8,10H,1,3-5,11-12H2,(H,13,14)/b10-6+
InChIKeyOFAHIYWMKMHGNJ-UXBLZVDNSA-N
MW199.25 g/mol
LogP0.10
Rot. Bonds7

About 2,5-diamino-6-iminonon-8-enoic acid

2,5-diamino-6-iminonon-8-enoic acid (PubChem CID 152781485) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,5-diamino-6-iminonon-8-enoic acid.

Molecular Properties

Compound Name2,5-diamino-6-iminonon-8-enoic acid
PubChem CID152781485
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2,5-diamino-6-iminonon-8-enoic acid
SMILES[H]/N=C(\CC=C)C(N)CCC(N)C(=O)O
InChIInChI=1S/C9H17N3O2/c1-2-3-6(10)7(11)4-5-8(12)9(13)14/h2,7-8,10H,1,3-5,11-12H2,(H,13,14)/b10-6+
InChIKeyOFAHIYWMKMHGNJ-UXBLZVDNSA-N
XLogP0.10
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-aminohept-6-enoic acid
CID 71352792
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2,5-diaminohept-6-enoic acid
CID 19865707
2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
CID 22141943
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
CID 71377128
buta-1,3-diene;2,6-diaminohexanoic acid
CID 167473831
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
CID 87252221
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-6-iminonon-8-enoic acid?
The IUPAC name of 2,5-diamino-6-iminonon-8-enoic acid (CID 152781485) is 2,5-diamino-6-iminonon-8-enoic acid.
What is the SMILES notation for 2,5-diamino-6-iminonon-8-enoic acid?
The canonical SMILES for 2,5-diamino-6-iminonon-8-enoic acid is [H]/N=C(\CC=C)C(N)CCC(N)C(=O)O.
What is the InChIKey of 2,5-diamino-6-iminonon-8-enoic acid?
The InChIKey is OFAHIYWMKMHGNJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-6(10)7(11)4-5-8(12)9(13)14/h2,7-8,10H,1,3-5,11-12H2,(H,13,14)/b10-6+.
What are the key properties of 2,5-diamino-6-iminonon-8-enoic acid?
2,5-diamino-6-iminonon-8-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-iminonon-8-enoic acid is sourced from PubChem (CID 152781485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).