(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid

C5H11FN2O2 — CID 46207589

IUPAC(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
SMILESNC[C@@H]([18F])C[C@H](N)C(=O)O
InChIInChI=1S/C5H11FN2O2/c6-3(2-7)1-4(8)5(9)10/h3-4H,1-2,7-8H2,(H,9,10)/t3-,4-/m0/s1/i6-1
InChIKeyZRIIYXZTUJZZCU-YFVVWXJXSA-N
MW149.16 g/mol
LogP-0.91
Rot. Bonds4

About (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid

(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid (PubChem CID 46207589) has the molecular formula C5H11FN2O2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid.

Molecular Properties

Compound Name(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
PubChem CID46207589
Molecular FormulaC5H11FN2O2
Molecular Weight149.16 g/mol
Exact Mass149.08
IUPAC Name(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
SMILESNC[C@@H]([18F])C[C@H](N)C(=O)O
InChIInChI=1S/C5H11FN2O2/c6-3(2-7)1-4(8)5(9)10/h3-4H,1-2,7-8H2,(H,9,10)/t3-,4-/m0/s1/i6-1
InChIKeyZRIIYXZTUJZZCU-YFVVWXJXSA-N
XLogP-0.91
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R,4R)-2-amino-4-fluoropentanoic acid
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2-amino-4-(aminomethyl)pentanedioic acid
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(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87214948
2,4,6-triaminoheptanedioic acid
CID 71362819
2-amino-4-methylpentanoic acid;chromium
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CID 6369563
CID 6369563
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid?
The IUPAC name of (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid (CID 46207589) is (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid.
What is the SMILES notation for (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid?
The canonical SMILES for (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid is NC[C@@H]([18F])C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid?
The InChIKey is ZRIIYXZTUJZZCU-YFVVWXJXSA-N. The full InChI is InChI=1S/C5H11FN2O2/c6-3(2-7)1-4(8)5(9)10/h3-4H,1-2,7-8H2,(H,9,10)/t3-,4-/m0/s1/i6-1.
What are the key properties of (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid?
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid has a molecular weight of 149.16 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid is sourced from PubChem (CID 46207589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).