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

C11H18F2N2O3 — CID 129260935

IUPAC[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
SMILESCC1CCN(C(=O)COC(=O)[C@H](C)N)CC1(F)F
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-MQWKRIRWSA-N
MW264.27 g/mol
LogP0.38
Rot. Bonds3

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

[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate (PubChem CID 129260935) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
PubChem CID129260935
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
SMILESCC1CCN(C(=O)COC(=O)[C@H](C)N)CC1(F)F
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-MQWKRIRWSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256141
[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256191
[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256192
[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260872
[2-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260875
[2-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260883
[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260934
[2-[(4S)-4-ethoxy-3,3-difluoropiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260984

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The IUPAC name of [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate (CID 129260935) is [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate.
What is the SMILES notation for [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The canonical SMILES for [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate is CC1CCN(C(=O)COC(=O)[C@H](C)N)CC1(F)F.
What is the InChIKey of [2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
The InChIKey is HFEZPZKFOQACAS-MQWKRIRWSA-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-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate?
[2-(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-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate is sourced from PubChem (CID 129260935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).