2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

C14H14F3NO3 — CID 62697267

IUPAC2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)7-11(19)18-12(13(20)21)9-4-5-9/h1-3,6,9,12H,4-5,7H2,(H,18,19)(H,20,21)
InChIKeyOKRUOKXNZLEUEB-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (PubChem CID 62697267) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
PubChem CID62697267
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)7-11(19)18-12(13(20)21)9-4-5-9/h1-3,6,9,12H,4-5,7H2,(H,18,19)(H,20,21)
InChIKeyOKRUOKXNZLEUEB-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 67362415

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (CID 62697267) is 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is O=C(Cc1cccc(C(F)(F)F)c1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The InChIKey is OKRUOKXNZLEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)7-11(19)18-12(13(20)21)9-4-5-9/h1-3,6,9,12H,4-5,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid has a molecular weight of 301.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 62697267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).