(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid

C6H10FNO3 — CID 121378626

IUPAC(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](F)[C@@H](O)C1
InChIInChI=1S/C6H10FNO3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyDNHXMDZIAIJFKI-WHFBIAKZSA-N
MW163.15 g/mol
LogP0.07
Rot. Bonds

About (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid

(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 121378626) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid
PubChem CID121378626
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](F)[C@@H](O)C1
InChIInChI=1S/C6H10FNO3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyDNHXMDZIAIJFKI-WHFBIAKZSA-N
XLogP0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid (CID 121378626) is (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CC[C@H](F)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is DNHXMDZIAIJFKI-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-4-1-2-8(6(10)11)3-5(4)9/h4-5,9H,1-3H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid?
(3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 121378626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).