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

C13H12F3NO3 — CID 63687625

IUPAC2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-4-2-1-3-9(10)11(12(19)20)17(7-18)8-5-6-8/h1-4,7-8,11H,5-6H2,(H,19,20)
InChIKeyDSNJQFHXHQAQIK-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.45
Rot. Bonds5

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

2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 63687625) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID63687625
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)10-4-2-1-3-9(10)11(12(19)20)17(7-18)8-5-6-8/h1-4,7-8,11H,5-6H2,(H,19,20)
InChIKeyDSNJQFHXHQAQIK-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
CID 55233210
2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 114843787
2-(5-chloroquinolin-8-yl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 115959667
2-[cyclopropyl(formyl)amino]-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)acetic acid
CID 64509512
2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
CID 67726299
2-[(1-acetylpiperidine-3-carbonyl)-methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 167745295
2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63689483
2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54895164
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 63687625) is 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid is O=CN(C1CC1)C(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is DSNJQFHXHQAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)10-4-2-1-3-9(10)11(12(19)20)17(7-18)8-5-6-8/h1-4,7-8,11H,5-6H2,(H,19,20).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 287.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 63687625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).