1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid

C13H12F3NO3 — CID 75483399

IUPAC1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-4-2-1-3-8(9)7-10(18)17-12(5-6-12)11(19)20/h1-4H,5-7H2,(H,17,18)(H,19,20)
InChIKeyVMOSXNZTFZYRAA-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.98
Rot. Bonds4

About 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 75483399) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID75483399
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-4-2-1-3-8(9)7-10(18)17-12(5-6-12)11(19)20/h1-4H,5-7H2,(H,17,18)(H,19,20)
InChIKeyVMOSXNZTFZYRAA-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(2-hydroxyphenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 80740936
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
4-[2-(trifluoromethyl)anilino]oxane-4-carboxylic acid
CID 78969335

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid (CID 75483399) is 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid is O=C(Cc1ccccc1C(F)(F)F)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is VMOSXNZTFZYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)9-4-2-1-3-8(9)7-10(18)17-12(5-6-12)11(19)20/h1-4H,5-7H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 287.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 75483399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).