(E,4S)-4-amino-5-fluoropent-2-enoic acid

C5H8FNO2 — CID 6438803

IUPAC(E,4S)-4-amino-5-fluoropent-2-enoic acid
SMILESN[C@@H](/C=C/C(=O)O)CF
InChIInChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)/b2-1+/t4-/m0/s1
InChIKeyKEPTZGBJKIMQGD-QPHDTYRISA-N
MW133.12 g/mol
LogP-0.08
Rot. Bonds3

About (E,4S)-4-amino-5-fluoropent-2-enoic acid

(E,4S)-4-amino-5-fluoropent-2-enoic acid (PubChem CID 6438803) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (E,4S)-4-amino-5-fluoropent-2-enoic acid.

Molecular Properties

Compound Name(E,4S)-4-amino-5-fluoropent-2-enoic acid
PubChem CID6438803
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(E,4S)-4-amino-5-fluoropent-2-enoic acid
SMILESN[C@@H](/C=C/C(=O)O)CF
InChIInChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)/b2-1+/t4-/m0/s1
InChIKeyKEPTZGBJKIMQGD-QPHDTYRISA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4S)-4-ammoniopent-2-enoate
CID 14074394
(E)-4-amino-5-fluoropent-2-enoic acid
CID 13477594
(r)-trans-4-Amino-2-pentenoic acid
CID 44278341
4-Aminopent-2-enoic acid
CID 54298962
2-Pentenoic acid, 5-amino-, (E)-
CID 6439117
5-Methyl-4-amino-2-hexenoic acid
CID 567662
(E)-4-aminopent-2-enoic acid
CID 14074393
4-Aminohexenoic acid
CID 21661560
4-Aminohex-2-enoic acid
CID 53421257
(4S)-4-aminopent-2-enoic acid
CID 54298960
6-Aminohex-2-enoic acid
CID 54314226
cis-4-Aminopent-2-enoic acid
CID 88019641

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-amino-5-fluoropent-2-enoic acid?
The IUPAC name of (E,4S)-4-amino-5-fluoropent-2-enoic acid (CID 6438803) is (E,4S)-4-amino-5-fluoropent-2-enoic acid.
What is the SMILES notation for (E,4S)-4-amino-5-fluoropent-2-enoic acid?
The canonical SMILES for (E,4S)-4-amino-5-fluoropent-2-enoic acid is N[C@@H](/C=C/C(=O)O)CF.
What is the InChIKey of (E,4S)-4-amino-5-fluoropent-2-enoic acid?
The InChIKey is KEPTZGBJKIMQGD-QPHDTYRISA-N. The full InChI is InChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)/b2-1+/t4-/m0/s1.
What are the key properties of (E,4S)-4-amino-5-fluoropent-2-enoic acid?
(E,4S)-4-amino-5-fluoropent-2-enoic acid has a molecular weight of 133.12 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-amino-5-fluoropent-2-enoic acid is sourced from PubChem (CID 6438803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).