2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid

C9H14F3NO3 — CID 95240730

IUPAC2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
SMILESCN(CC(=O)O)[C@H]([C@@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-7(14)15)8(9(10,11)12)6-3-2-4-16-6/h6,8H,2-5H2,1H3,(H,14,15)/t6-,8+/m0/s1
InChIKeyRRLYVOKRXDGCMO-POYBYMJQSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds4

About 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid

2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid (PubChem CID 95240730) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
PubChem CID95240730
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
SMILESCN(CC(=O)O)[C@H]([C@@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-7(14)15)8(9(10,11)12)6-3-2-4-16-6/h6,8H,2-5H2,1H3,(H,14,15)/t6-,8+/m0/s1
InChIKeyRRLYVOKRXDGCMO-POYBYMJQSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid (CID 95240730) is 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid is CN(CC(=O)O)[C@H]([C@@H]1CCCO1)C(F)(F)F.
What is the InChIKey of 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid?
The InChIKey is RRLYVOKRXDGCMO-POYBYMJQSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(5-7(14)15)8(9(10,11)12)6-3-2-4-16-6/h6,8H,2-5H2,1H3,(H,14,15)/t6-,8+/m0/s1.
What are the key properties of 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid?
2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid is sourced from PubChem (CID 95240730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).