1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid

C12H22FNO2S — CID 126598691

IUPAC1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid
SMILESCC(C)(CC(C)(C)C1CC(N)(C(=O)O)C1)SF
InChIInChI=1S/C12H22FNO2S/c1-10(2,7-11(3,4)17-13)8-5-12(14,6-8)9(15)16/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyGDDIRWAHBCOJIG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid

1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 126598691) has the molecular formula C12H22FNO2S and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid
PubChem CID126598691
Molecular FormulaC12H22FNO2S
Molecular Weight263.38 g/mol
Exact Mass263.14
IUPAC Name1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid
SMILESCC(C)(CC(C)(C)C1CC(N)(C(=O)O)C1)SF
InChIInChI=1S/C12H22FNO2S/c1-10(2,7-11(3,4)17-13)8-5-12(14,6-8)9(15)16/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyGDDIRWAHBCOJIG-UHFFFAOYSA-N
XLogP2.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid (CID 126598691) is 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid is CC(C)(CC(C)(C)C1CC(N)(C(=O)O)C1)SF.
What is the InChIKey of 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is GDDIRWAHBCOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2S/c1-10(2,7-11(3,4)17-13)8-5-12(14,6-8)9(15)16/h8H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid?
1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluorosulfanyl-2,4-dimethylpentan-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 126598691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).