(E)-2,6-diaminohex-4-enoic acid

C6H12N2O2 — CID 10219500

IUPAC(E)-2,6-diaminohex-4-enoic acid
SMILESNC/C=C/CC(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/b2-1+
InChIKeyXDEFUBWPXAOAME-OWOJBTEDSA-N
MW144.17 g/mol
LogP-0.70
Rot. Bonds4

About (E)-2,6-diaminohex-4-enoic acid

(E)-2,6-diaminohex-4-enoic acid (PubChem CID 10219500) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E)-2,6-diaminohex-4-enoic acid.

Molecular Properties

Compound Name(E)-2,6-diaminohex-4-enoic acid
PubChem CID10219500
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(E)-2,6-diaminohex-4-enoic acid
SMILESNC/C=C/CC(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/b2-1+
InChIKeyXDEFUBWPXAOAME-OWOJBTEDSA-N
XLogP-0.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,6-diaminohex-4-enoic acid?
The IUPAC name of (E)-2,6-diaminohex-4-enoic acid (CID 10219500) is (E)-2,6-diaminohex-4-enoic acid.
What is the SMILES notation for (E)-2,6-diaminohex-4-enoic acid?
The canonical SMILES for (E)-2,6-diaminohex-4-enoic acid is NC/C=C/CC(N)C(=O)O.
What is the InChIKey of (E)-2,6-diaminohex-4-enoic acid?
The InChIKey is XDEFUBWPXAOAME-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/b2-1+.
What are the key properties of (E)-2,6-diaminohex-4-enoic acid?
(E)-2,6-diaminohex-4-enoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-diaminohex-4-enoic acid is sourced from PubChem (CID 10219500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).