2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid

C13H16BrNO2 — CID 65057476

IUPAC2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
SMILESCC(c1ccccc1Br)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-9(11-4-2-3-5-12(11)14)15(8-13(16)17)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyOSNXLBCOYIGYQG-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid

2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid (PubChem CID 65057476) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
PubChem CID65057476
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
SMILESCC(c1ccccc1Br)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-9(11-4-2-3-5-12(11)14)15(8-13(16)17)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyOSNXLBCOYIGYQG-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715077
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
2-[cyclopentyl-[1-(2,5-dimethylphenyl)ethyl]amino]acetic acid
CID 65058262
2-[cyclopentyl-[1-(2-hydroxy-5-methylphenyl)ethyl]amino]acetic acid
CID 65058314
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
CID 113389381
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
CID 96555431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid (CID 65057476) is 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid is CC(c1ccccc1Br)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid?
The InChIKey is OSNXLBCOYIGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9(11-4-2-3-5-12(11)14)15(8-13(16)17)10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid?
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid has a molecular weight of 298.18 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 65057476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).