4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid

C9H16F3NO5 — CID 175325209

IUPAC4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid
SMILESCCCNC(CCO)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO3.C2HF3O2/c1-2-4-8-6(3-5-9)7(10)11;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3,(H,10,11);(H,6,7)
InChIKeyUEKVYZQYQXFBIB-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.45
Rot. Bonds6

About 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid

4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 175325209) has the molecular formula C9H16F3NO5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid
PubChem CID175325209
Molecular FormulaC9H16F3NO5
Molecular Weight275.22 g/mol
Exact Mass275.10
IUPAC Name4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid
SMILESCCCNC(CCO)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO3.C2HF3O2/c1-2-4-8-6(3-5-9)7(10)11;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3,(H,10,11);(H,6,7)
InChIKeyUEKVYZQYQXFBIB-UHFFFAOYSA-N
XLogP0.45
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid (CID 175325209) is 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid is CCCNC(CCO)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is UEKVYZQYQXFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C2HF3O2/c1-2-4-8-6(3-5-9)7(10)11;3-2(4,5)1(6)7/h6,8-9H,2-5H2,1H3,(H,10,11);(H,6,7).
What are the key properties of 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid?
4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 275.22 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(propylamino)butanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175325209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).