2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid

C8H10F3NO3 — CID 60826230

IUPAC2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12(4-7(14)15)5-1-2-5/h5H,1-4H2,(H,14,15)
InChIKeyUAXSLDSJXBBXJB-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.01
Rot. Bonds4

About 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid

2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 60826230) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID60826230
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)C1CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12(4-7(14)15)5-1-2-5/h5H,1-4H2,(H,14,15)
InChIKeyUAXSLDSJXBBXJB-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

Analyze 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2S)-2-[tert-butyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 175750220
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 43655099
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54946251
2-[Cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826431
2-[Butan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60829896
2-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60832356
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833696

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 60826230) is 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid is O=C(O)CN(C(=O)CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is UAXSLDSJXBBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12(4-7(14)15)5-1-2-5/h5H,1-4H2,(H,14,15).
What are the key properties of 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic 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 2-[cyclopropyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 60826230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).