(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid

C9H10F3NO5 — CID 69198705

IUPAC(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@](N)(C(=O)O)c1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO3.C2HF3O2/c1-7(8,6(9)10)5-2-3-11-4-5;3-2(4,5)1(6)7/h2-4H,8H2,1H3,(H,9,10);(H,6,7)/t7-;/m0./s1
InChIKeyFIZUAYIRVIJDNN-FJXQXJEOSA-N
MW269.18 g/mol
LogP1.17
Rot. Bonds2

About (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid

(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 69198705) has the molecular formula C9H10F3NO5 and a molecular weight of 269.18 g/mol. Its IUPAC name is (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
PubChem CID69198705
Molecular FormulaC9H10F3NO5
Molecular Weight269.18 g/mol
Exact Mass269.05
IUPAC Name(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@](N)(C(=O)O)c1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO3.C2HF3O2/c1-7(8,6(9)10)5-2-3-11-4-5;3-2(4,5)1(6)7/h2-4H,8H2,1H3,(H,9,10);(H,6,7)/t7-;/m0./s1
InChIKeyFIZUAYIRVIJDNN-FJXQXJEOSA-N
XLogP1.17
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-2-(furan-3-yl)acetate hydrochloride
CID 165479149
Methyl 2-amino-2-(furan-3-yl)acetate
CID 18546098
Ethyl 3-amino-3-(furan-3-yl)propanoate;2,2,2-trifluoroacetic acid
CID 23203202
(s)-2-Amino-3-furylpropionic acid trifluoroacetic acid salt
CID 69433043
2-[Amino(furan-3-yl)methyl]butanoic acid;2,2,2-trifluoroacetic acid
CID 70079407
ethyl (3S)-3-amino-3-(furan-3-yl)propanoate;2,2,2-trifluoroacetic acid
CID 70084895
(2,2,2-Trifluoroacetyl) 3-amino-3-(furan-3-yl)pentanoate
CID 88137659
(2,2,2-trifluoroacetyl) (2S)-2-(2-aminofuran-3-yl)propanoate
CID 139895777
Methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-3,3,3-trifluoro-2-(furan-3-yl)propanoate
CID 16089766
Methyl 2-(diethoxyphosphorylcarbonylamino)-3,3,3-trifluoro-2-(furan-3-yl)propanoate
CID 16089779
2-Amino-3,3,3-trifluoro-2-(furan-3-yl)propanoic acid
CID 64136702
1,1,1-Trifluoro-2-(furan-3-yl)propan-2-amine
CID 80238381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid (CID 69198705) is (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid is C[C@@](N)(C(=O)O)c1ccoc1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FIZUAYIRVIJDNN-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H9NO3.C2HF3O2/c1-7(8,6(9)10)5-2-3-11-4-5;3-2(4,5)1(6)7/h2-4H,8H2,1H3,(H,9,10);(H,6,7)/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid?
(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 269.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69198705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).