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

C10H17F3N2O4 — CID 63832654

IUPAC2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-2-4-15(6-8(16)17)9(18)14-3-5-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyQJBKTIFFWADLDV-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.07
Rot. Bonds8

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

2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid (PubChem CID 63832654) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
PubChem CID63832654
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-2-4-15(6-8(16)17)9(18)14-3-5-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyQJBKTIFFWADLDV-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(2-methoxy-ethylamino)-propionic acid ethyl ester
CID 3816115
Ethyl 3,3,3-trifluoro-2-(methylamino)-2-(propylamino)propionate
CID 539884
[[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]-bis(propylamino)methyl]phosphonic acid
CID 20429770
Ethyl 2-[bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]acetate
CID 59386384
N-methyl-N-[2-(methylamino)ethyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67765031
2-Oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
CID 141299462
Ethyl 2-acetamido-3,3,3-trifluoro-2-(propylamino)propanoate
CID 4642832
[(2S)-2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]-(2-methoxyethyl)azanium
CID 7372638
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 7372639
[(2R)-2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]-(2-methoxyethyl)azanium
CID 7372640
ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 7372641
Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate;2,2,2-trifluoroacetic acid
CID 44613837

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid (CID 63832654) is 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
The InChIKey is QJBKTIFFWADLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-2-4-15(6-8(16)17)9(18)14-3-5-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid?
2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid has a molecular weight of 286.25 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63832654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).