(2S)-2-amino-4-(18F)fluoropentanedioic acid

C5H8FNO4 — CID 24786230

IUPAC(2S)-2-amino-4-(18F)fluoropentanedioic acid
SMILESN[C@@H](CC([18F])C(=O)O)C(=O)O
InChIInChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)/t2?,3-/m0/s1/i6-1
InChIKeyJPSHPWJJSVEEAX-OWPBQMJCSA-N
MW164.12 g/mol
LogP-0.79
Rot. Bonds4

About (2S)-2-amino-4-(18F)fluoropentanedioic acid

(2S)-2-amino-4-(18F)fluoropentanedioic acid (PubChem CID 24786230) has the molecular formula C5H8FNO4 and a molecular weight of 164.12 g/mol. Its IUPAC name is (2S)-2-amino-4-(18F)fluoropentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(18F)fluoropentanedioic acid
PubChem CID24786230
Molecular FormulaC5H8FNO4
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name(2S)-2-amino-4-(18F)fluoropentanedioic acid
SMILESN[C@@H](CC([18F])C(=O)O)C(=O)O
InChIInChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)/t2?,3-/m0/s1/i6-1
InChIKeyJPSHPWJJSVEEAX-OWPBQMJCSA-N
XLogP-0.79
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(18F)fluoropentanedioic acid?
The IUPAC name of (2S)-2-amino-4-(18F)fluoropentanedioic acid (CID 24786230) is (2S)-2-amino-4-(18F)fluoropentanedioic acid.
What is the SMILES notation for (2S)-2-amino-4-(18F)fluoropentanedioic acid?
The canonical SMILES for (2S)-2-amino-4-(18F)fluoropentanedioic acid is N[C@@H](CC([18F])C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(18F)fluoropentanedioic acid?
The InChIKey is JPSHPWJJSVEEAX-OWPBQMJCSA-N. The full InChI is InChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)/t2?,3-/m0/s1/i6-1.
What are the key properties of (2S)-2-amino-4-(18F)fluoropentanedioic acid?
(2S)-2-amino-4-(18F)fluoropentanedioic acid has a molecular weight of 164.12 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(18F)fluoropentanedioic acid is sourced from PubChem (CID 24786230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).