3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid

C6H10F3NO3 — CID 63900477

IUPAC3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCNCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(11)3-10-2-1-5(12)13/h4,10-11H,1-3H2,(H,12,13)
InChIKeyAPKBHZTYZOJEFM-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.03
Rot. Bonds5

About 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid

3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (PubChem CID 63900477) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
PubChem CID63900477
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCNCC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(11)3-10-2-1-5(12)13/h4,10-11H,1-3H2,(H,12,13)
InChIKeyAPKBHZTYZOJEFM-UHFFFAOYSA-N
XLogP-0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (CID 63900477) is 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is O=C(O)CCNCC(O)C(F)(F)F.
What is the InChIKey of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The InChIKey is APKBHZTYZOJEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4(11)3-10-2-1-5(12)13/h4,10-11H,1-3H2,(H,12,13).
What are the key properties of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid has a molecular weight of 201.14 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 63900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).