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

C10H16F3NO4 — CID 61013011

IUPAC2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-2-4-14(6-9(16)17)8(15)3-5-18-7-10(11,12)13/h2-7H2,1H3,(H,16,17)
InChIKeyVOQDKSRAYFEVOJ-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.28
Rot. Bonds8

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

2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 61013011) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID61013011
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-2-4-14(6-9(16)17)8(15)3-5-18-7-10(11,12)13/h2-7H2,1H3,(H,16,17)
InChIKeyVOQDKSRAYFEVOJ-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[propyl-[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-[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 22089272
Carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
CID 130266725
Ethyl 3-[(3-ethoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoate
CID 154674222
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43356205
Methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 43423880
2-[4-[3-(2,2,2-Trifluoroethoxy)propanoyl]piperazin-1-yl]acetic acid
CID 43521264
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43655307
Ethyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 54898477
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 54898493
Methyl 3-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate
CID 54899695
Ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 54900927
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54901511

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 61013011) is 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is VOQDKSRAYFEVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-2-4-14(6-9(16)17)8(15)3-5-18-7-10(11,12)13/h2-7H2,1H3,(H,16,17).
What are the key properties of 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 61013011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).