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

C10H16F2N2O4 — CID 129270621

IUPAC[2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O4/c1-6(13)9(17)18-4-8(16)14-3-2-7(15)10(11,12)5-14/h6-7,15H,2-5,13H2,1H3/t6-,7+/m1/s1
InChIKeyTXRZYCISAMGPLP-RQJHMYQMSA-N
MW266.24 g/mol
LogP-0.89
Rot. Bonds3

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

[2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate (PubChem CID 129270621) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
PubChem CID129270621
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Name[2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O4/c1-6(13)9(17)18-4-8(16)14-3-2-7(15)10(11,12)5-14/h6-7,15H,2-5,13H2,1H3/t6-,7+/m1/s1
InChIKeyTXRZYCISAMGPLP-RQJHMYQMSA-N
XLogP-0.89
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The IUPAC name of [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate (CID 129270621) is [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The canonical SMILES for [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCC(=O)N1CC[C@H](O)C(F)(F)C1.
What is the InChIKey of [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The InChIKey is TXRZYCISAMGPLP-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c1-6(13)9(17)18-4-8(16)14-3-2-7(15)10(11,12)5-14/h6-7,15H,2-5,13H2,1H3/t6-,7+/m1/s1.
What are the key properties of [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
[2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate has a molecular weight of 266.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 129270621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).