2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid

C12H10F3NO3 — CID 110486472

IUPAC2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C12H10F3NO3/c13-7-2-1-6(9(14)10(7)15)12(3-4-12)11(19)16-5-8(17)18/h1-2H,3-5H2,(H,16,19)(H,17,18)
InChIKeyUWFKIVVPLIRQMQ-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.34
Rot. Bonds4

About 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid

2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid (PubChem CID 110486472) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
PubChem CID110486472
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C12H10F3NO3/c13-7-2-1-6(9(14)10(7)15)12(3-4-12)11(19)16-5-8(17)18/h1-2H,3-5H2,(H,16,19)(H,17,18)
InChIKeyUWFKIVVPLIRQMQ-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486476
N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486480
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-butyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 110486488
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
CID 110477797
1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 111434836

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid (CID 110486472) is 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid is O=C(O)CNC(=O)C1(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is UWFKIVVPLIRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-7-2-1-6(9(14)10(7)15)12(3-4-12)11(19)16-5-8(17)18/h1-2H,3-5H2,(H,16,19)(H,17,18).
What are the key properties of 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 273.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3,4-trifluorophenyl)cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 110486472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).