(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid

C8H15FN2O2 — CID 88705955

IUPAC(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid
SMILESC/C(=C\CC(N)(CF)C(=O)O)CN
InChIInChI=1S/C8H15FN2O2/c1-6(4-10)2-3-8(11,5-9)7(12)13/h2H,3-5,10-11H2,1H3,(H,12,13)/b6-2+
InChIKeyAGXBWHUYUFNFBM-QHHAFSJGSA-N
MW190.22 g/mol
LogP0.03
Rot. Bonds5

About (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid

(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid (PubChem CID 88705955) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid
PubChem CID88705955
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid
SMILESC/C(=C\CC(N)(CF)C(=O)O)CN
InChIInChI=1S/C8H15FN2O2/c1-6(4-10)2-3-8(11,5-9)7(12)13/h2H,3-5,10-11H2,1H3,(H,12,13)/b6-2+
InChIKeyAGXBWHUYUFNFBM-QHHAFSJGSA-N
XLogP0.03
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-diamino-2-(difluoromethyl)-5-methylhex-4-enoic acid
CID 88706843
2,5,5-trimethylhex-2-en-1-amine
CID 103392273
2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
CID 14231035
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(E,2S)-2,5-diamino-2-(fluoromethyl)pent-3-enoic acid
CID 94462022
2-amino-2-ethyl-5-hydroxypent-4-enoic acid
CID 173443210
2-fluoro-2-(3-methylbut-2-enyl)propanedioic acid
CID 122239916
(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid
CID 125426862
2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
CID 11042087
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid?
The IUPAC name of (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid (CID 88705955) is (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid.
What is the SMILES notation for (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid?
The canonical SMILES for (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid is C/C(=C\CC(N)(CF)C(=O)O)CN.
What is the InChIKey of (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid?
The InChIKey is AGXBWHUYUFNFBM-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-6(4-10)2-3-8(11,5-9)7(12)13/h2H,3-5,10-11H2,1H3,(H,12,13)/b6-2+.
What are the key properties of (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid?
(E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid has a molecular weight of 190.22 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-diamino-2-(fluoromethyl)-5-methylhex-4-enoic acid is sourced from PubChem (CID 88705955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).