[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate

C11H18F2N2O3 — CID 129256140

IUPAC[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(=O)N1CC[C@H](C)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O3/c1-7-3-4-15(6-11(7,12)13)9(16)5-18-10(17)8(2)14/h7-8H,3-6,14H2,1-2H3/t7-,8-/m0/s1
InChIKeyHFEZPZKFOQACAS-YUMQZZPRSA-N
MW264.27 g/mol
LogP0.38
Rot. Bonds3

About [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate

[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate (PubChem CID 129256140) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
PubChem CID129256140
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCC(=O)N1CC[C@H](C)C(F)(F)C1
InChIInChI=1S/C11H18F2N2O3/c1-7-3-4-15(6-11(7,12)13)9(16)5-18-10(17)8(2)14/h7-8H,3-6,14H2,1-2H3/t7-,8-/m0/s1
InChIKeyHFEZPZKFOQACAS-YUMQZZPRSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
CID 170642221
1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
CID 145052655
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
CID 129349585
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
CID 121246761
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
3-(3,3-difluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 126787142
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383

Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate?
The IUPAC name of [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate (CID 129256140) is [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate.
What is the SMILES notation for [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate?
The canonical SMILES for [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCC(=O)N1CC[C@H](C)C(F)(F)C1.
What is the InChIKey of [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate?
The InChIKey is HFEZPZKFOQACAS-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7-3-4-15(6-11(7,12)13)9(16)5-18-10(17)8(2)14/h7-8H,3-6,14H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate?
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate has a molecular weight of 264.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate is sourced from PubChem (CID 129256140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).