3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid

C11H20FNO2 — CID 105471452

IUPAC3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CNCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJVKBWAXYEPORJH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.83
Rot. Bonds5

About 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid

3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105471452) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID105471452
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CNCC1(F)CCC(C(=O)O)C1
InChIInChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyJVKBWAXYEPORJH-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid (CID 105471452) is 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)CNCC1(F)CCC(C(=O)O)C1.
What is the InChIKey of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JVKBWAXYEPORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(2)6-13-7-11(12)4-3-9(5-11)10(14)15/h8-9,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid?
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 217.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105471452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).