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

C9H14F3NO3 — CID 63901093

IUPAC3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(O)C(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13(6-1-2-6)4-3-8(15)16/h6-7,14H,1-5H2,(H,15,16)
InChIKeyNFAZVFYNLSWKBD-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.85
Rot. Bonds6

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

3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (PubChem CID 63901093) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
PubChem CID63901093
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(O)C(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13(6-1-2-6)4-3-8(15)16/h6-7,14H,1-5H2,(H,15,16)
InChIKeyNFAZVFYNLSWKBD-UHFFFAOYSA-N
XLogP0.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (CID 63901093) is 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is O=C(O)CCN(CC(O)C(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The InChIKey is NFAZVFYNLSWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13(6-1-2-6)4-3-8(15)16/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid has a molecular weight of 241.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 63901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).