2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid

C7H11F3N2O4 — CID 61492672

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)4-16-2-1-11-6(15)12-3-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15)
InChIKeyNDENKDBSBVPMLZ-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.05
Rot. Bonds6

About 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid

2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid (PubChem CID 61492672) has the molecular formula C7H11F3N2O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
PubChem CID61492672
Molecular FormulaC7H11F3N2O4
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H11F3N2O4/c8-7(9,10)4-16-2-1-11-6(15)12-3-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15)
InChIKeyNDENKDBSBVPMLZ-UHFFFAOYSA-N
XLogP-0.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834599
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834426
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 82014762
4-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63832295
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 104686692
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
(2S)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63833892
2-(5,5,5-trifluoropentylcarbamoylamino)acetic acid
CID 115521461
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63834246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid (CID 61492672) is 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid?
The InChIKey is NDENKDBSBVPMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4/c8-7(9,10)4-16-2-1-11-6(15)12-3-5(13)14/h1-4H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid?
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid has a molecular weight of 244.17 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 61492672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).