2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid

C5H8F3NO3 — CID 95396547

IUPAC2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid
SMILESNC[C@@H](OCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(1-9)12-2-4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1
InChIKeyCORHSPNAMKSFPB-GSVOUGTGSA-N
MW187.12 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid

2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid (PubChem CID 95396547) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid
PubChem CID95396547
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid
SMILESNC[C@@H](OCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(1-9)12-2-4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1
InChIKeyCORHSPNAMKSFPB-GSVOUGTGSA-N
XLogP-0.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid?
The IUPAC name of 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid (CID 95396547) is 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid?
The canonical SMILES for 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid is NC[C@@H](OCC(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid?
The InChIKey is CORHSPNAMKSFPB-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8F3NO3/c6-5(7,8)3(1-9)12-2-4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m1/s1.
What are the key properties of 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid?
2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid has a molecular weight of 187.12 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]oxyacetic acid is sourced from PubChem (CID 95396547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).