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

C10H16F3NO4 — CID 60831042

IUPAC2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-7(2)14(5-9(16)17)8(15)3-4-18-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyJQQXDZQHUVZNOQ-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.28
Rot. Bonds7

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

2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 60831042) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID60831042
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-7(2)14(5-9(16)17)8(15)3-4-18-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyJQQXDZQHUVZNOQ-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Related Compounds

2-[3-(2,2,2-Trifluoroethoxy)propanoylamino]propanoic acid
CID 43355255
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
N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43655307
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 54898493
Ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate
CID 54900805
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 60831042) is 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is JQQXDZQHUVZNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-7(2)14(5-9(16)17)8(15)3-4-18-6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 60831042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).