2-amino-3-fluoro-3-hydroxyhexanedioic acid

C6H10FNO5 — CID 140720905

IUPAC2-amino-3-fluoro-3-hydroxyhexanedioic acid
SMILESNC(C(=O)O)C(O)(F)CCC(=O)O
InChIInChI=1S/C6H10FNO5/c7-6(13,2-1-3(9)10)4(8)5(11)12/h4,13H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyQZUDHQXBQHWECS-UHFFFAOYSA-N
MW195.15 g/mol
LogP-1.08
Rot. Bonds5

About 2-amino-3-fluoro-3-hydroxyhexanedioic acid

2-amino-3-fluoro-3-hydroxyhexanedioic acid (PubChem CID 140720905) has the molecular formula C6H10FNO5 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-amino-3-fluoro-3-hydroxyhexanedioic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-3-hydroxyhexanedioic acid
PubChem CID140720905
Molecular FormulaC6H10FNO5
Molecular Weight195.15 g/mol
Exact Mass195.05
IUPAC Name2-amino-3-fluoro-3-hydroxyhexanedioic acid
SMILESNC(C(=O)O)C(O)(F)CCC(=O)O
InChIInChI=1S/C6H10FNO5/c7-6(13,2-1-3(9)10)4(8)5(11)12/h4,13H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyQZUDHQXBQHWECS-UHFFFAOYSA-N
XLogP-1.08
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3,3-difluoropentanedioic acid
CID 21120526
(4S)-4-(aminomethyl)-5,5-difluoro-4-hydroxypentanoic acid
CID 129452449
2-amino-3,3-dihydroxypentanedioic acid
CID 87266041
4,4-dihydroxyheptanedioic acid
CID 87892288
(4R)-4,5-diamino-4-fluoro-5-oxopentanoic acid
CID 87215084
4,4-diaminoheptanedioic acid
CID 158684867
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
(2S,3S)-2-amino-3-hydroxy-3-(trifluoromethyl)undecanoic acid
CID 11098102
(1S,3R)-1,3-dihydroxypentane-1,3,5-tricarboxylic acid
CID 162972821
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
2,2-dimethylbutane-1,1,4-tricarboxylic acid
CID 86125783

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-3-hydroxyhexanedioic acid?
The IUPAC name of 2-amino-3-fluoro-3-hydroxyhexanedioic acid (CID 140720905) is 2-amino-3-fluoro-3-hydroxyhexanedioic acid.
What is the SMILES notation for 2-amino-3-fluoro-3-hydroxyhexanedioic acid?
The canonical SMILES for 2-amino-3-fluoro-3-hydroxyhexanedioic acid is NC(C(=O)O)C(O)(F)CCC(=O)O.
What is the InChIKey of 2-amino-3-fluoro-3-hydroxyhexanedioic acid?
The InChIKey is QZUDHQXBQHWECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO5/c7-6(13,2-1-3(9)10)4(8)5(11)12/h4,13H,1-2,8H2,(H,9,10)(H,11,12).
What are the key properties of 2-amino-3-fluoro-3-hydroxyhexanedioic acid?
2-amino-3-fluoro-3-hydroxyhexanedioic acid has a molecular weight of 195.15 g/mol, XLogP of -1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-3-hydroxyhexanedioic acid is sourced from PubChem (CID 140720905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).