2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

C12H18F3NO4 — CID 60827286

IUPAC2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-10(17)16(7-11(18)19)9-3-1-2-4-9/h9H,1-8H2,(H,18,19)
InChIKeyIREYBVJLJUBAHA-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.81
Rot. Bonds7

About 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 60827286) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID60827286
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-10(17)16(7-11(18)19)9-3-1-2-4-9/h9H,1-8H2,(H,18,19)
InChIKeyIREYBVJLJUBAHA-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]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-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43356205
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54901511
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
Methyl 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 54945930
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54946251
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993977
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
2-[Propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61013011
Ethyl 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 61021192
2-[Cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171963
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 61491177
2-[2-Methoxyethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61537371

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 60827286) is 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is IREYBVJLJUBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-10(17)16(7-11(18)19)9-3-1-2-4-9/h9H,1-8H2,(H,18,19).
What are the key properties of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 297.27 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 60827286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).