3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid

C10H16F3NO3 — CID 54962276

IUPAC3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-5-14(8-1-2-8)4-3-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyXYAOYHWKHBRYAR-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds8

About 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid

3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid (PubChem CID 54962276) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
PubChem CID54962276
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-5-14(8-1-2-8)4-3-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyXYAOYHWKHBRYAR-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961927
3-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961979
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277
3-[Tert-butyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962328
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54983399
3-[Cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
CID 55147674
2-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490820
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61490822
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61490868
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61599470
Ethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoate
CID 61605012

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid (CID 54962276) is 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid is O=C(O)CCN(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The InChIKey is XYAOYHWKHBRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-5-14(8-1-2-8)4-3-9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid is sourced from PubChem (CID 54962276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).