cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride

C7H13ClFNO2 — CID 71528633

IUPACcis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCC(C)[C@]1(F)C[C@]1(N)C(=O)O.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-4(2)6(8)3-7(6,9)5(10)11;/h4H,3,9H2,1-2H3,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyMYFJVCHUFOPUJQ-HHQFNNIRSA-N
MW197.64 g/mol
LogP0.96
Rot. Bonds2

About cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride

cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 71528633) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID71528633
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Namecis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCC(C)[C@]1(F)C[C@]1(N)C(=O)O.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-4(2)6(8)3-7(6,9)5(10)11;/h4H,3,9H2,1-2H3,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyMYFJVCHUFOPUJQ-HHQFNNIRSA-N
XLogP0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride 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 cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride (CID 71528633) is cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride is CC(C)[C@]1(F)C[C@]1(N)C(=O)O.Cl.
What is the InChIKey of cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is MYFJVCHUFOPUJQ-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H12FNO2.ClH/c1-4(2)6(8)3-7(6,9)5(10)11;/h4H,3,9H2,1-2H3,(H,10,11);1H/t6-,7+;/m1./s1.
What are the key properties of cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 197.64 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 71528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).