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

C11H16F3NO4 — CID 60844904

IUPAC3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15(8-1-2-8)5-3-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyNXTCKCKHBZTEBZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.42
Rot. Bonds8

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

3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid (PubChem CID 60844904) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
PubChem CID60844904
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15(8-1-2-8)5-3-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyNXTCKCKHBZTEBZ-UHFFFAOYSA-N
XLogP1.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid (CID 60844904) is 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid is O=C(O)CCN(C(=O)CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid?
The InChIKey is NXTCKCKHBZTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15(8-1-2-8)5-3-10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid?
3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid has a molecular weight of 283.25 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 60844904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).