(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid

C8H13FO4 — CID 54349651

IUPAC(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
SMILESCC1(C)OC[C@H](C[C@H](F)C(=O)O)O1
InChIInChI=1S/C8H13FO4/c1-8(2)12-4-5(13-8)3-6(9)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyUEVCBBXKWGVGRR-WDSKDSINSA-N
MW192.19 g/mol
LogP0.95
Rot. Bonds3

About (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid

(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid (PubChem CID 54349651) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
PubChem CID54349651
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Name(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid
SMILESCC1(C)OC[C@H](C[C@H](F)C(=O)O)O1
InChIInChI=1S/C8H13FO4/c1-8(2)12-4-5(13-8)3-6(9)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyUEVCBBXKWGVGRR-WDSKDSINSA-N
XLogP0.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid?
The IUPAC name of (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid (CID 54349651) is (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid.
What is the SMILES notation for (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid?
The canonical SMILES for (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid is CC1(C)OC[C@H](C[C@H](F)C(=O)O)O1.
What is the InChIKey of (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid?
The InChIKey is UEVCBBXKWGVGRR-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13FO4/c1-8(2)12-4-5(13-8)3-6(9)7(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid?
(2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid has a molecular weight of 192.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoropropanoic acid is sourced from PubChem (CID 54349651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).