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

C8H10F3NO3 — CID 60999862

IUPAC3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(5-1-2-5)4-3-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyVEDTYTAFMKGAJJ-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.01
Rot. Bonds4

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

3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 60999862) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID60999862
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(5-1-2-5)4-3-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyVEDTYTAFMKGAJJ-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
2-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826230
3-[Tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60827462
3-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60830207
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60839696
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60840497
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 60844904
3-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60846253
3-[Cyclopropyl(2,2-difluoroethyl)amino]propanoic acid
CID 60922418
3-[2,2-Difluoroethyl(propan-2-yl)amino]propanoic acid
CID 60922807
3-[Methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60988390
3-(2,2,2-Trifluoro-n-isopropylacetamido)propanoic acid
CID 61000336

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 60999862) is 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is O=C(O)CCN(C(=O)C(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is VEDTYTAFMKGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12(5-1-2-5)4-3-6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 225.17 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 60999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).