2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid

C11H11F3N2O4 — CID 43318577

IUPAC2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4/c1-16(6-9(17)18)10(19)15-7-3-2-4-8(5-7)20-11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyNTZIUWYRCKXJDA-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.13
Rot. Bonds4

About 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid

2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid (PubChem CID 43318577) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
PubChem CID43318577
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4/c1-16(6-9(17)18)10(19)15-7-3-2-4-8(5-7)20-11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyNTZIUWYRCKXJDA-UHFFFAOYSA-N
XLogP2.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]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

N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 47033491
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid (CID 43318577) is 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid?
The InChIKey is NTZIUWYRCKXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-16(6-9(17)18)10(19)15-7-3-2-4-8(5-7)20-11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid?
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 43318577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).