(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid

C11H21N3O2 — CID 59888640

IUPAC(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid
SMILESC/C(N)=N\C/C(C)=C(\C)CCC(N)C(=O)O
InChIInChI=1S/C11H21N3O2/c1-7(4-5-10(13)11(15)16)8(2)6-14-9(3)12/h10H,4-6,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-7+
InChIKeyKZNQNOOYXULKBD-BQYQJAHWSA-N
MW227.31 g/mol
LogP0.89
Rot. Bonds6

About (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid

(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid (PubChem CID 59888640) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid
PubChem CID59888640
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid
SMILESC/C(N)=N\C/C(C)=C(\C)CCC(N)C(=O)O
InChIInChI=1S/C11H21N3O2/c1-7(4-5-10(13)11(15)16)8(2)6-14-9(3)12/h10H,4-6,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-7+
InChIKeyKZNQNOOYXULKBD-BQYQJAHWSA-N
XLogP0.89
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic 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

(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
CID 59074907
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-amino-5-oxo-5-sulfanylpentanoic acid
CID 71435123
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(4R)-4-amino-5-oxohexanoic acid;(2S)-2-aminopentanedioic acid;methane
CID 163711224
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid?
The IUPAC name of (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid (CID 59888640) is (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid.
What is the SMILES notation for (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid?
The canonical SMILES for (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid is C/C(N)=N\C/C(C)=C(\C)CCC(N)C(=O)O.
What is the InChIKey of (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid?
The InChIKey is KZNQNOOYXULKBD-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(4-5-10(13)11(15)16)8(2)6-14-9(3)12/h10H,4-6,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-7+.
What are the key properties of (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid?
(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid has a molecular weight of 227.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid is sourced from PubChem (CID 59888640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).