2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

C12H12ClFN2O3 — CID 54978717

IUPAC2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C12H12ClFN2O3/c13-8-2-1-3-9(11(8)14)15-12(19)16(6-10(17)18)7-4-5-7/h1-3,7H,4-6H2,(H,15,19)(H,17,18)
InChIKeyPSKMELJINXYMMP-UHFFFAOYSA-N
MW286.69 g/mol
LogP2.56
Rot. Bonds4

About 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid

2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (PubChem CID 54978717) has the molecular formula C12H12ClFN2O3 and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
PubChem CID54978717
Molecular FormulaC12H12ClFN2O3
Molecular Weight286.69 g/mol
Exact Mass286.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C12H12ClFN2O3/c13-8-2-1-3-9(11(8)14)15-12(19)16(6-10(17)18)7-4-5-7/h1-3,7H,4-6H2,(H,15,19)(H,17,18)
InChIKeyPSKMELJINXYMMP-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(1-oxo-2H-isoquinolin-4-yl)methyl]urea
CID 154929408
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72915964

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid (CID 54978717) is 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Nc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
The InChIKey is PSKMELJINXYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3/c13-8-2-1-3-9(11(8)14)15-12(19)16(6-10(17)18)7-4-5-7/h1-3,7H,4-6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid?
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid has a molecular weight of 286.69 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54978717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).