(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid

C8H12FNO3 — CID 170330280

IUPAC(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@H]1C[C@H](C(=O)O)C[C@@H]1F
InChIInChI=1S/C8H12FNO3/c1-4(11)10-7-3-5(8(12)13)2-6(7)9/h5-7H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+,7+/m1/s1
InChIKeyHQWLCRXUFZNSOK-VQVTYTSYSA-N
MW189.19 g/mol
LogP0.32
Rot. Bonds2

About (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid

(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid (PubChem CID 170330280) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
PubChem CID170330280
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
SMILESCC(=O)N[C@H]1C[C@H](C(=O)O)C[C@@H]1F
InChIInChI=1S/C8H12FNO3/c1-4(11)10-7-3-5(8(12)13)2-6(7)9/h5-7H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+,7+/m1/s1
InChIKeyHQWLCRXUFZNSOK-VQVTYTSYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic 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 (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid (CID 170330280) is (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid is CC(=O)N[C@H]1C[C@H](C(=O)O)C[C@@H]1F.
What is the InChIKey of (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid?
The InChIKey is HQWLCRXUFZNSOK-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-4(11)10-7-3-5(8(12)13)2-6(7)9/h5-7H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+,7+/m1/s1.
What are the key properties of (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid?
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid has a molecular weight of 189.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 170330280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).