(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid

C9H16FNO2 — CID 129494482

IUPAC(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC[C@@H](F)C1
InChIInChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-4-7(10)6-11/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyVWRJECWSARQGOZ-SFYZADRCSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds3

About (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid

(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid (PubChem CID 129494482) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid
PubChem CID129494482
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC[C@@H](F)C1
InChIInChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-4-7(10)6-11/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyVWRJECWSARQGOZ-SFYZADRCSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid (CID 129494482) is (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1CCC[C@@H](F)C1.
What is the InChIKey of (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid?
The InChIKey is VWRJECWSARQGOZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-8(9(12)13)11-5-3-4-7(10)6-11/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid?
(2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-fluoropiperidin-1-yl]butanoic acid is sourced from PubChem (CID 129494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).