methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate

C10H17F2NO2 — CID 71602922

IUPACmethyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
SMILESCCC(NC1CCC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3
InChIKeyRZNMMCDSJLKNHZ-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate

methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate (PubChem CID 71602922) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
PubChem CID71602922
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
SMILESCCC(NC1CCC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3
InChIKeyRZNMMCDSJLKNHZ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate?
The IUPAC name of methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate (CID 71602922) is methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate?
The canonical SMILES for methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate is CCC(NC1CCC(F)(F)C1)C(=O)OC.
What is the InChIKey of methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate?
The InChIKey is RZNMMCDSJLKNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate?
methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate has a molecular weight of 221.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate is sourced from PubChem (CID 71602922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).