(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid

C10H20N4O2 — CID 46700879

IUPAC(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid
SMILESC/C(CCN=C(N)N)=C(/C)CC(N)C(=O)O
InChIInChI=1S/C10H20N4O2/c1-6(3-4-14-10(12)13)7(2)5-8(11)9(15)16/h8H,3-5,11H2,1-2H3,(H,15,16)(H4,12,13,14)/b7-6+
InChIKeyMUXISWBCYJTFKU-VOTSOKGWSA-N
MW228.30 g/mol
LogP-0.21
Rot. Bonds6

About (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid

(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid (PubChem CID 46700879) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid
PubChem CID46700879
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid
SMILESC/C(CCN=C(N)N)=C(/C)CC(N)C(=O)O
InChIInChI=1S/C10H20N4O2/c1-6(3-4-14-10(12)13)7(2)5-8(11)9(15)16/h8H,3-5,11H2,1-2H3,(H,15,16)(H4,12,13,14)/b7-6+
InChIKeyMUXISWBCYJTFKU-VOTSOKGWSA-N
XLogP-0.21
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
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

(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 87308517
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-5-oxohexanoic acid
CID 87499595
(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
CID 5318222
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid
CID 131128678
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid?
The IUPAC name of (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid (CID 46700879) is (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid.
What is the SMILES notation for (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid?
The canonical SMILES for (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid is C/C(CCN=C(N)N)=C(/C)CC(N)C(=O)O.
What is the InChIKey of (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid?
The InChIKey is MUXISWBCYJTFKU-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-6(3-4-14-10(12)13)7(2)5-8(11)9(15)16/h8H,3-5,11H2,1-2H3,(H,15,16)(H4,12,13,14)/b7-6+.
What are the key properties of (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid?
(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid has a molecular weight of 228.30 g/mol, XLogP of -0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid is sourced from PubChem (CID 46700879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).