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

C14H24F2N2O4 — CID 129256191

IUPAC[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CC[C@H](OC(C)(C)C)C(F)(F)C1
InChIInChI=1S/C14H24F2N2O4/c1-9(17)12(20)21-7-11(19)18-6-5-10(14(15,16)8-18)22-13(2,3)4/h9-10H,5-8,17H2,1-4H3/t9-,10+/m1/s1
InChIKeyLFGQKNSXZOIEQP-ZJUUUORDSA-N
MW322.35 g/mol
LogP0.93
Rot. Bonds4

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

[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate (PubChem CID 129256191) has the molecular formula C14H24F2N2O4 and a molecular weight of 322.35 g/mol. Its IUPAC name is [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
PubChem CID129256191
Molecular FormulaC14H24F2N2O4
Molecular Weight322.35 g/mol
Exact Mass322.17
IUPAC Name[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(=O)N1CC[C@H](OC(C)(C)C)C(F)(F)C1
InChIInChI=1S/C14H24F2N2O4/c1-9(17)12(20)21-7-11(19)18-6-5-10(14(15,16)8-18)22-13(2,3)4/h9-10H,5-8,17H2,1-4H3/t9-,10+/m1/s1
InChIKeyLFGQKNSXZOIEQP-ZJUUUORDSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The IUPAC name of [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate (CID 129256191) is [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The canonical SMILES for [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCC(=O)N1CC[C@H](OC(C)(C)C)C(F)(F)C1.
What is the InChIKey of [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
The InChIKey is LFGQKNSXZOIEQP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H24F2N2O4/c1-9(17)12(20)21-7-11(19)18-6-5-10(14(15,16)8-18)22-13(2,3)4/h9-10H,5-8,17H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate?
[2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate has a molecular weight of 322.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 129256191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).