2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid

C10H18FNO2 — CID 123315921

IUPAC2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid
SMILESCCC(F)(CNC1CCCC1)C(=O)O
InChIInChI=1S/C10H18FNO2/c1-2-10(11,9(13)14)7-12-8-5-3-4-6-8/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeySPGQZCDCNOECDH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.72
Rot. Bonds5

About 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid

2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid (PubChem CID 123315921) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid
PubChem CID123315921
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid
SMILESCCC(F)(CNC1CCCC1)C(=O)O
InChIInChI=1S/C10H18FNO2/c1-2-10(11,9(13)14)7-12-8-5-3-4-6-8/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeySPGQZCDCNOECDH-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid?
The IUPAC name of 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid (CID 123315921) is 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid is CCC(F)(CNC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid?
The InChIKey is SPGQZCDCNOECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-10(11,9(13)14)7-12-8-5-3-4-6-8/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid?
2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-2-fluorobutanoic acid is sourced from PubChem (CID 123315921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).