methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate

C12H12F3NO3 — CID 59786000

IUPACmethyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-7(11(18)19-2)16-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17)
InChIKeyFUKRIFSWCGFODA-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate

methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate (PubChem CID 59786000) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
PubChem CID59786000
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Namemethyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-7(11(18)19-2)16-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17)
InChIKeyFUKRIFSWCGFODA-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethyl)benzamide
CID 61121266
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 65190896
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate (CID 59786000) is methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate?
The InChIKey is FUKRIFSWCGFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-7(11(18)19-2)16-10(17)8-3-5-9(6-4-8)12(13,14)15/h3-7H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate?
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate has a molecular weight of 275.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 59786000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).