(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid

C8H10FNO4 — CID 143663960

IUPAC(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid
SMILESNC(/C=C(\C=C\CF)C(=O)O)C(=O)O
InChIInChI=1S/C8H10FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h1-2,4,6H,3,10H2,(H,11,12)(H,13,14)/b2-1+,5-4+
InChIKeyAOVHDDRBKYIPNC-PMRVSPHWSA-N
MW203.17 g/mol
LogP-0.06
Rot. Bonds5

About (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid

(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid (PubChem CID 143663960) has the molecular formula C8H10FNO4 and a molecular weight of 203.17 g/mol. Its IUPAC name is (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid.

Molecular Properties

Compound Name(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid
PubChem CID143663960
Molecular FormulaC8H10FNO4
Molecular Weight203.17 g/mol
Exact Mass203.06
IUPAC Name(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid
SMILESNC(/C=C(\C=C\CF)C(=O)O)C(=O)O
InChIInChI=1S/C8H10FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h1-2,4,6H,3,10H2,(H,11,12)(H,13,14)/b2-1+,5-4+
InChIKeyAOVHDDRBKYIPNC-PMRVSPHWSA-N
XLogP-0.06
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid?
The IUPAC name of (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid (CID 143663960) is (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid.
What is the SMILES notation for (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid?
The canonical SMILES for (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid is NC(/C=C(\C=C\CF)C(=O)O)C(=O)O.
What is the InChIKey of (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid?
The InChIKey is AOVHDDRBKYIPNC-PMRVSPHWSA-N. The full InChI is InChI=1S/C8H10FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h1-2,4,6H,3,10H2,(H,11,12)(H,13,14)/b2-1+,5-4+.
What are the key properties of (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid?
(E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid has a molecular weight of 203.17 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-2-[(E)-3-fluoroprop-1-enyl]pent-2-enedioic acid is sourced from PubChem (CID 143663960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).