(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid

C10H14FNO2 — CID 166992524

IUPAC(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid
SMILESC=C(N)/C=C(C)\C(F)=C(/CC)C(=O)O
InChIInChI=1S/C10H14FNO2/c1-4-8(10(13)14)9(11)6(2)5-7(3)12/h5H,3-4,12H2,1-2H3,(H,13,14)/b6-5-,9-8-
InChIKeyVBKYRQWJOWIKQB-AFJQJTPPSA-N
MW199.22 g/mol
LogP2.12
Rot. Bonds4

About (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid

(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid (PubChem CID 166992524) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid
PubChem CID166992524
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid
SMILESC=C(N)/C=C(C)\C(F)=C(/CC)C(=O)O
InChIInChI=1S/C10H14FNO2/c1-4-8(10(13)14)9(11)6(2)5-7(3)12/h5H,3-4,12H2,1-2H3,(H,13,14)/b6-5-,9-8-
InChIKeyVBKYRQWJOWIKQB-AFJQJTPPSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic 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

(Z)-2-[(E)-1-aminoprop-1-enyl]-3-fluoropent-2-enoic acid
CID 118190049
(E,2E)-2-(1-aminopropylidene)-3-fluorohex-3-enoic acid
CID 132264480
(2E,4Z)-2-[(Z)-1-amino-2-fluoroethenyl]-3-methylhexa-2,4-dienoic acid
CID 135190409
2-(5-Amino-3-fluoro-3-methylcyclohepta-1,4,6-trien-1-yl)acetic acid
CID 143616805
7-Amino-4-fluorocyclohepta-1,4,6-triene-1-carboxylic acid
CID 156547400
(2E,4E)-2-[(E)-1-aminoprop-1-enyl]-6,6,6-trifluoro-5-methylhexa-2,4-dienoic acid
CID 163922780
(2Z,3Z)-2-(1-aminoethylidene)-5-fluoro-4-methylhexa-3,5-dienoic acid
CID 142866304
3-Amino-4-fluorocyclohexa-1,3-diene-1-carboxylic acid
CID 168090597
3-Amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid
CID 171600666
(E)-3-amino-2-prop-2-enylpent-2-enoic acid
CID 87250381
3-Amino-2-ethylpenta-2,4-dienoic acid
CID 88423742
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid
CID 88874568

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid?
The IUPAC name of (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid (CID 166992524) is (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid.
What is the SMILES notation for (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid?
The canonical SMILES for (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid is C=C(N)/C=C(C)\C(F)=C(/CC)C(=O)O.
What is the InChIKey of (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid?
The InChIKey is VBKYRQWJOWIKQB-AFJQJTPPSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-4-8(10(13)14)9(11)6(2)5-7(3)12/h5H,3-4,12H2,1-2H3,(H,13,14)/b6-5-,9-8-.
What are the key properties of (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid?
(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid has a molecular weight of 199.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid is sourced from PubChem (CID 166992524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).