(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid

C8H14F2N2O3 — CID 154936210

IUPAC(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid
SMILESN[C@@H](COC[C@@H]1CC(F)(F)CN1)C(=O)O
InChIInChI=1S/C8H14F2N2O3/c9-8(10)1-5(12-4-8)2-15-3-6(11)7(13)14/h5-6,12H,1-4,11H2,(H,13,14)/t5-,6-/m0/s1
InChIKeyYGGLKEZFWIZRAG-WDSKDSINSA-N
MW224.21 g/mol
LogP-0.59
Rot. Bonds5

About (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid

(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid (PubChem CID 154936210) has the molecular formula C8H14F2N2O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid
PubChem CID154936210
Molecular FormulaC8H14F2N2O3
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid
SMILESN[C@@H](COC[C@@H]1CC(F)(F)CN1)C(=O)O
InChIInChI=1S/C8H14F2N2O3/c9-8(10)1-5(12-4-8)2-15-3-6(11)7(13)14/h5-6,12H,1-4,11H2,(H,13,14)/t5-,6-/m0/s1
InChIKeyYGGLKEZFWIZRAG-WDSKDSINSA-N
XLogP-0.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid (CID 154936210) is (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid is N[C@@H](COC[C@@H]1CC(F)(F)CN1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid?
The InChIKey is YGGLKEZFWIZRAG-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14F2N2O3/c9-8(10)1-5(12-4-8)2-15-3-6(11)7(13)14/h5-6,12H,1-4,11H2,(H,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid?
(2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid has a molecular weight of 224.21 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propanoic acid is sourced from PubChem (CID 154936210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).