cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid

C10H14FNO3 — CID 164659338

IUPACcis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]1C(=O)N1CCC(F)C1
InChIInChI=1S/C10H14FNO3/c11-6-3-4-12(5-6)9(13)7-1-2-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6?,7-,8+/m0/s1
InChIKeyGZRPMBHYEPHYMS-ZHFSPANRSA-N
MW215.22 g/mol
LogP0.67
Rot. Bonds2

About cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid

cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 164659338) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID164659338
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Namecis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]1C(=O)N1CCC(F)C1
InChIInChI=1S/C10H14FNO3/c11-6-3-4-12(5-6)9(13)7-1-2-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6?,7-,8+/m0/s1
InChIKeyGZRPMBHYEPHYMS-ZHFSPANRSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 164659338) is cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@@H]1C(=O)N1CCC(F)C1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is GZRPMBHYEPHYMS-ZHFSPANRSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-6-3-4-12(5-6)9(13)7-1-2-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6?,7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid?
cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 215.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluoropyrrolidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 164659338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).