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

C8H12F3NO2 — CID 60839696

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12(6-1-2-6)4-3-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyDKECVFAPDGAVEA-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.49
Rot. Bonds5

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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 60839696) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID60839696
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12(6-1-2-6)4-3-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyDKECVFAPDGAVEA-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892343
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961927
3-[Butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
4,4,4-Trifluoro-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 55146719
3-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60830207
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60840497
3-[Cyclopropyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60846253
3-[Methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60891395
3-[Cyclopropyl(2,2-difluoroethyl)amino]propanoic acid
CID 60922418
3-[2,2-Difluoroethyl(propan-2-yl)amino]propanoic acid
CID 60922807
3-[2,2-Difluoroethyl(methyl)amino]propanoic acid
CID 60986780
3-(n-Cyclopropyl-2,2,2-trifluoroacetamido)propanoic acid
CID 60999862

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 60839696) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid is O=C(O)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is DKECVFAPDGAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12(6-1-2-6)4-3-7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 211.18 g/mol, XLogP of 1.49, 5 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-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 60839696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).