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

C10H16F3N3O4 — CID 107438469

IUPAC2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H16F3N3O4/c1-2-3-15(6-10(11,12)13)9(20)16(4-7(14)17)5-8(18)19/h2-6H2,1H3,(H2,14,17)(H,18,19)
InChIKeyZLVVYYXTWFKQFB-UHFFFAOYSA-N
MW299.25 g/mol
LogP0.25
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 107438469) has the molecular formula C10H16F3N3O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID107438469
Molecular FormulaC10H16F3N3O4
Molecular Weight299.25 g/mol
Exact Mass299.11
IUPAC Name2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H16F3N3O4/c1-2-3-15(6-10(11,12)13)9(20)16(4-7(14)17)5-8(18)19/h2-6H2,1H3,(H2,14,17)(H,18,19)
InChIKeyZLVVYYXTWFKQFB-UHFFFAOYSA-N
XLogP0.25
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263920
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79811378
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265653
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 79788611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 107438469) is 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCCN(CC(F)(F)F)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is ZLVVYYXTWFKQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O4/c1-2-3-15(6-10(11,12)13)9(20)16(4-7(14)17)5-8(18)19/h2-6H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 299.25 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).