methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate

C11H19F2NO2 — CID 58484952

IUPACmethyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C11H19F2NO2/c1-10(2,9(15)16-3)7-14-8-4-5-11(12,13)6-8/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyICNNUDIYNCYSGQ-MRVPVSSYSA-N
MW235.27 g/mol
LogP1.96
Rot. Bonds4

About methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate

methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate (PubChem CID 58484952) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate
PubChem CID58484952
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Namemethyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C11H19F2NO2/c1-10(2,9(15)16-3)7-14-8-4-5-11(12,13)6-8/h8,14H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyICNNUDIYNCYSGQ-MRVPVSSYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate (CID 58484952) is methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN[C@@H]1CCC(F)(F)C1.
What is the InChIKey of methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate?
The InChIKey is ICNNUDIYNCYSGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2,9(15)16-3)7-14-8-4-5-11(12,13)6-8/h8,14H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate?
methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate has a molecular weight of 235.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-3,3-difluorocyclopentyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 58484952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).