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

C10H19N3O2 — CID 59074907

IUPAC(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
SMILESC/C(=C\CCC(N)C(=O)O)C/N=C(\C)N
InChIInChI=1S/C10H19N3O2/c1-7(6-13-8(2)11)4-3-5-9(12)10(14)15/h4,9H,3,5-6,12H2,1-2H3,(H2,11,13)(H,14,15)/b7-4+
InChIKeyBUWVIKSJDLQOIV-QPJJXVBHSA-N
MW213.28 g/mol
LogP0.50
Rot. Bonds6

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

(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid (PubChem CID 59074907) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
PubChem CID59074907
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
SMILESC/C(=C\CCC(N)C(=O)O)C/N=C(\C)N
InChIInChI=1S/C10H19N3O2/c1-7(6-13-8(2)11)4-3-5-9(12)10(14)15/h4,9H,3,5-6,12H2,1-2H3,(H2,11,13)(H,14,15)/b7-4+
InChIKeyBUWVIKSJDLQOIV-QPJJXVBHSA-N
XLogP0.50
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.50
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'}

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Related Compounds

(E)-2-amino-7-(1-aminoethylideneamino)-5,6-dimethylhept-5-enoic acid
CID 59888640
(E)-2-amino-6-fluoro-7-[1-(hydroxyamino)ethylideneamino]hept-5-enoic acid
CID 59888634
(2S,5E)-2-amino-5-hydroxyiminopentanoic acid
CID 53245664
2-aminohept-5-enoic acid
CID 54178727
2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid;phosphoric acid
CID 85040284
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
N'-[(E)-6-amino-2-fluorohept-2-enyl]ethanimidamide;ethane;formic acid
CID 142831813
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(E,2S)-2-amino-7-methoxy-7-oxohept-5-enoic acid
CID 146012830
(Z,2S)-2-amino-8-fluoronon-7-enoic acid
CID 102213570
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(Z)-2-amino-8-fluoronon-7-enoic acid
CID 102355201

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid?
The IUPAC name of (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid (CID 59074907) is (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid.
What is the SMILES notation for (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid?
The canonical SMILES for (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid is C/C(=C\CCC(N)C(=O)O)C/N=C(\C)N.
What is the InChIKey of (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid?
The InChIKey is BUWVIKSJDLQOIV-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(6-13-8(2)11)4-3-5-9(12)10(14)15/h4,9H,3,5-6,12H2,1-2H3,(H2,11,13)(H,14,15)/b7-4+.
What are the key properties of (E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid?
(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.50, 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)-6-methylhept-5-enoic acid is sourced from PubChem (CID 59074907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).