(2S,5R)-2,5-diamino-6-fluorohexanoic acid

C6H13FN2O2 — CID 89056683

IUPAC(2S,5R)-2,5-diamino-6-fluorohexanoic acid
SMILESN[C@@H](CF)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H13FN2O2/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyPRNUWRQQLDXHRZ-UHNVWZDZSA-N
MW164.18 g/mol
LogP-0.52
Rot. Bonds5

About (2S,5R)-2,5-diamino-6-fluorohexanoic acid

(2S,5R)-2,5-diamino-6-fluorohexanoic acid (PubChem CID 89056683) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2S,5R)-2,5-diamino-6-fluorohexanoic acid.

Molecular Properties

Compound Name(2S,5R)-2,5-diamino-6-fluorohexanoic acid
PubChem CID89056683
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name(2S,5R)-2,5-diamino-6-fluorohexanoic acid
SMILESN[C@@H](CF)CC[C@H](N)C(=O)O
InChIInChI=1S/C6H13FN2O2/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyPRNUWRQQLDXHRZ-UHNVWZDZSA-N
XLogP-0.52
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2S)-2-amino-5-(18F)fluoro-6,6-dihydroxyhexanoic acid
CID 52938621
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
(2S)-2-Amino-4-selanylbutanoic acid
CID 15894949
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-diamino-6-fluorohexanoic acid?
The IUPAC name of (2S,5R)-2,5-diamino-6-fluorohexanoic acid (CID 89056683) is (2S,5R)-2,5-diamino-6-fluorohexanoic acid.
What is the SMILES notation for (2S,5R)-2,5-diamino-6-fluorohexanoic acid?
The canonical SMILES for (2S,5R)-2,5-diamino-6-fluorohexanoic acid is N[C@@H](CF)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S,5R)-2,5-diamino-6-fluorohexanoic acid?
The InChIKey is PRNUWRQQLDXHRZ-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13FN2O2/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (2S,5R)-2,5-diamino-6-fluorohexanoic acid?
(2S,5R)-2,5-diamino-6-fluorohexanoic acid has a molecular weight of 164.18 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-diamino-6-fluorohexanoic acid is sourced from PubChem (CID 89056683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).