2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid

C10H18FNO2 — CID 105455433

IUPAC2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
SMILESCC(F)C(CN)(C(=O)O)C1CCCC1
InChIInChI=1S/C10H18FNO2/c1-7(11)10(6-12,9(13)14)8-4-2-3-5-8/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyJSBDXKPYCADIED-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid

2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid (PubChem CID 105455433) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
PubChem CID105455433
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
SMILESCC(F)C(CN)(C(=O)O)C1CCCC1
InChIInChI=1S/C10H18FNO2/c1-7(11)10(6-12,9(13)14)8-4-2-3-5-8/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyJSBDXKPYCADIED-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
3-amino-2-cyclobutyl-2-cyclopropylpropanoic acid
CID 106489641
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
CID 67678236
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
CID 174968712
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
CID 70869370
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid (CID 105455433) is 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid is CC(F)C(CN)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid?
The InChIKey is JSBDXKPYCADIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7(11)10(6-12,9(13)14)8-4-2-3-5-8/h7-8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid?
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid is sourced from PubChem (CID 105455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).