(4S)-3-amino-4-fluorooxolane-3-carboxylic acid

C5H8FNO3 — CID 70639707

IUPAC(4S)-3-amino-4-fluorooxolane-3-carboxylic acid
SMILESNC1(C(=O)O)COC[C@H]1F
InChIInChI=1S/C5H8FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5?/m1/s1
InChIKeySKOMSHHLONMKBX-VXPOTGITSA-N
MW149.12 g/mol
LogP-0.86
Rot. Bonds1

About (4S)-3-amino-4-fluorooxolane-3-carboxylic acid

(4S)-3-amino-4-fluorooxolane-3-carboxylic acid (PubChem CID 70639707) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is (4S)-3-amino-4-fluorooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-amino-4-fluorooxolane-3-carboxylic acid
PubChem CID70639707
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name(4S)-3-amino-4-fluorooxolane-3-carboxylic acid
SMILESNC1(C(=O)O)COC[C@H]1F
InChIInChI=1S/C5H8FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5?/m1/s1
InChIKeySKOMSHHLONMKBX-VXPOTGITSA-N
XLogP-0.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-amino-4-fluorooxolane-3-carboxylic acid?
The IUPAC name of (4S)-3-amino-4-fluorooxolane-3-carboxylic acid (CID 70639707) is (4S)-3-amino-4-fluorooxolane-3-carboxylic acid.
What is the SMILES notation for (4S)-3-amino-4-fluorooxolane-3-carboxylic acid?
The canonical SMILES for (4S)-3-amino-4-fluorooxolane-3-carboxylic acid is NC1(C(=O)O)COC[C@H]1F.
What is the InChIKey of (4S)-3-amino-4-fluorooxolane-3-carboxylic acid?
The InChIKey is SKOMSHHLONMKBX-VXPOTGITSA-N. The full InChI is InChI=1S/C5H8FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5?/m1/s1.
What are the key properties of (4S)-3-amino-4-fluorooxolane-3-carboxylic acid?
(4S)-3-amino-4-fluorooxolane-3-carboxylic acid has a molecular weight of 149.12 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-amino-4-fluorooxolane-3-carboxylic acid is sourced from PubChem (CID 70639707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).