2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H14F3N3O4 — CID 79258617

IUPAC2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O4/c1-2-13-8(19)14-6(16)3-15(4-7(17)18)5-9(10,11)12/h2-5H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQDDNTRBMUCESMR-UHFFFAOYSA-N
MW285.22 g/mol
LogP-0.22
Rot. Bonds6

About 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258617) has the molecular formula C9H14F3N3O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258617
Molecular FormulaC9H14F3N3O4
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O4/c1-2-13-8(19)14-6(16)3-15(4-7(17)18)5-9(10,11)12/h2-5H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQDDNTRBMUCESMR-UHFFFAOYSA-N
XLogP-0.22
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid
CID 373588
2-[Diethyl-[[(2,2,2-trifluoroacetyl)amino]methyl]azaniumyl]acetate
CID 20818124
2-[2-[Di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
CID 87451575
2-(Ethylcarbamoylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87451880
2-{2-[2-(2,2,2-Trifluoroacetamido)acetamido]acetamido}acetic acid
CID 89631232
[[Carboxymethyl-(2,2,2-trifluoroacetyl)amino]-bis(ethylamino)methyl]-sulfanylidenephosphanium
CID 173410131
Carboxymethyl-diethyl-[[(2,2,2-trifluoroacetyl)amino]methyl]azanium
CID 20818125
2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
CID 43442388
2-[[Bis(ethylamino)-thiophosphorosomethyl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 53795664
2-[[2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 55009804
2-[[2-(3,3,3-Trifluoropropylcarbamoylamino)acetyl]amino]acetic acid
CID 55174954
2-[Carboxymethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
CID 55246706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258617) is 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCNC(=O)NC(=O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QDDNTRBMUCESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O4/c1-2-13-8(19)14-6(16)3-15(4-7(17)18)5-9(10,11)12/h2-5H2,1H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 285.22 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).