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

C12H13F3N2O3 — CID 62879277

IUPAC2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-17(7-10(18)19)11(20)16-6-8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyGJWQKSFMGPVFJH-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.93
Rot. Bonds4

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

2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid (PubChem CID 62879277) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
PubChem CID62879277
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-17(7-10(18)19)11(20)16-6-8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyGJWQKSFMGPVFJH-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
3-[[4-(2-hydroxypropan-2-yl)phenyl]methylcarbamoyl-methylamino]propanoic acid
CID 122010565
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
3-[methyl-[[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]carbamoyl]amino]propanoic acid
CID 122011310
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(benzylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 27242893

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid (CID 62879277) is 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid?
The InChIKey is GJWQKSFMGPVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-17(7-10(18)19)11(20)16-6-8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid?
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid has a molecular weight of 290.24 g/mol, XLogP of 1.93, 4 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]methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 62879277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).