2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

C12H12BrFN2O3 — CID 54978668

IUPAC2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C12H12BrFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18)
InChIKeyRQJYFYUYCDZRBD-UHFFFAOYSA-N
MW331.14 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (PubChem CID 54978668) has the molecular formula C12H12BrFN2O3 and a molecular weight of 331.14 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
PubChem CID54978668
Molecular FormulaC12H12BrFN2O3
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C12H12BrFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18)
InChIKeyRQJYFYUYCDZRBD-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
2-[(4-bromo-2-cyanophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 82704502
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (CID 54978668) is 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Nc1ccc(F)cc1Br)C1CC1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The InChIKey is RQJYFYUYCDZRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O3/c13-9-5-7(14)1-4-10(9)15-12(19)16(6-11(17)18)8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid has a molecular weight of 331.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54978668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).