2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H11F3N2O5 — CID 79264824

IUPAC2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C11H11F3N2O5/c12-11(13,14)6-16(5-9(18)19)8(17)4-15-10(20)7-2-1-3-21-7/h1-3H,4-6H2,(H,15,20)(H,18,19)
InChIKeyVPIGCJORQSQAGJ-UHFFFAOYSA-N
MW308.21 g/mol
LogP0.48
Rot. Bonds6

About 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264824) has the molecular formula C11H11F3N2O5 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264824
Molecular FormulaC11H11F3N2O5
Molecular Weight308.21 g/mol
Exact Mass308.06
IUPAC Name2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C11H11F3N2O5/c12-11(13,14)6-16(5-9(18)19)8(17)4-15-10(20)7-2-1-3-21-7/h1-3H,4-6H2,(H,15,20)(H,18,19)
InChIKeyVPIGCJORQSQAGJ-UHFFFAOYSA-N
XLogP0.48
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266511
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709123
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 652241
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264824) is 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CNC(=O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VPIGCJORQSQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O5/c12-11(13,14)6-16(5-9(18)19)8(17)4-15-10(20)7-2-1-3-21-7/h1-3H,4-6H2,(H,15,20)(H,18,19).
What are the key properties of 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 308.21 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).