(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid

C10H18F2N2O3 — CID 166795427

IUPAC(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC[C@@H]1CCC(F)(F)CN1)C(=O)O
InChIInChI=1S/C10H18F2N2O3/c1-13-8(9(15)16)5-17-4-7-2-3-10(11,12)6-14-7/h7-8,13-14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyLFFHVRUMKZEQJA-YUMQZZPRSA-N
MW252.26 g/mol
LogP0.06
Rot. Bonds6

About (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid

(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid (PubChem CID 166795427) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid
PubChem CID166795427
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC[C@@H]1CCC(F)(F)CN1)C(=O)O
InChIInChI=1S/C10H18F2N2O3/c1-13-8(9(15)16)5-17-4-7-2-3-10(11,12)6-14-7/h7-8,13-14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyLFFHVRUMKZEQJA-YUMQZZPRSA-N
XLogP0.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid (CID 166795427) is (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid is CN[C@@H](COC[C@@H]1CCC(F)(F)CN1)C(=O)O.
What is the InChIKey of (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid?
The InChIKey is LFFHVRUMKZEQJA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c1-13-8(9(15)16)5-17-4-7-2-3-10(11,12)6-14-7/h7-8,13-14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid?
(2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid has a molecular weight of 252.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[(2S)-5,5-difluoropiperidin-2-yl]methoxy]-2-(methylamino)propanoic acid is sourced from PubChem (CID 166795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).