(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid

C5H10FNO3 — CID 139667914

IUPAC(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
SMILESNC[C@@H](F)C[C@H](O)C(=O)O
InChIInChI=1S/C5H10FNO3/c6-3(2-7)1-4(8)5(9)10/h3-4,8H,1-2,7H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyLRTGDIUCHNRQAN-IMJSIDKUSA-N
MW151.14 g/mol
LogP-0.88
Rot. Bonds4

About (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid

(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid (PubChem CID 139667914) has the molecular formula C5H10FNO3 and a molecular weight of 151.14 g/mol. Its IUPAC name is (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
PubChem CID139667914
Molecular FormulaC5H10FNO3
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Name(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
SMILESNC[C@@H](F)C[C@H](O)C(=O)O
InChIInChI=1S/C5H10FNO3/c6-3(2-7)1-4(8)5(9)10/h3-4,8H,1-2,7H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyLRTGDIUCHNRQAN-IMJSIDKUSA-N
XLogP-0.88
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
CID 155906053
2,3,5-trihydroxyhexanedioic acid
CID 1737
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
4-chloro-2-hydroxypentanoic acid
CID 20550476

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid?
The IUPAC name of (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid (CID 139667914) is (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid.
What is the SMILES notation for (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid?
The canonical SMILES for (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid is NC[C@@H](F)C[C@H](O)C(=O)O.
What is the InChIKey of (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid?
The InChIKey is LRTGDIUCHNRQAN-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10FNO3/c6-3(2-7)1-4(8)5(9)10/h3-4,8H,1-2,7H2,(H,9,10)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid?
(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid has a molecular weight of 151.14 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid is sourced from PubChem (CID 139667914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).