[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate

C10H16F2N2O3 — CID 129260934

IUPAC[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m1/s1
InChIKeyZQNHQFAZOUHTNG-SSDOTTSWSA-N
MW250.24 g/mol
LogP0.13
Rot. Bonds3

About [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate

[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate (PubChem CID 129260934) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
PubChem CID129260934
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m1/s1
InChIKeyZQNHQFAZOUHTNG-SSDOTTSWSA-N
XLogP0.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90986997
[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-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260935
[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-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate?
The IUPAC name of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate (CID 129260934) is [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate?
The canonical SMILES for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate?
The InChIKey is ZQNHQFAZOUHTNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-7(13)9(16)17-5-8(15)14-4-2-3-10(11,12)6-14/h7H,2-6,13H2,1H3/t7-/m1/s1.
What are the key properties of [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate?
[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate has a molecular weight of 250.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 129260934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).