2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid

C11H11F3N2O3 — CID 43318418

IUPAC2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O3/c1-16(6-9(17)18)10(19)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyJVDKWIMHKWQKTO-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.25
Rot. Bonds3

About 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid

2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid (PubChem CID 43318418) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
PubChem CID43318418
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O3/c1-16(6-9(17)18)10(19)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyJVDKWIMHKWQKTO-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
1-(3-amino-2,2-dimethylpropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 79647075
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
3-[methyl-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122087391
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226
2-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 43135768

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid (CID 43318418) is 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid?
The InChIKey is JVDKWIMHKWQKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-16(6-9(17)18)10(19)15-8-4-2-7(3-5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid?
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid has a molecular weight of 276.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 43318418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).