2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid

C13H14BrNO3 — CID 119194508

IUPAC2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H14BrNO3/c14-11-4-2-1-3-9(11)7-12(16)15(8-13(17)18)10-5-6-10/h1-4,10H,5-8H2,(H,17,18)
InChIKeyTWLHWQOATJMVCN-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.07
Rot. Bonds5

About 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid

2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid (PubChem CID 119194508) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
PubChem CID119194508
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccccc1Br)C1CC1
InChIInChI=1S/C13H14BrNO3/c14-11-4-2-1-3-9(11)7-12(16)15(8-13(17)18)10-5-6-10/h1-4,10H,5-8H2,(H,17,18)
InChIKeyTWLHWQOATJMVCN-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[[(4R)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399166
2-[[(4S)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399167
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid (CID 119194508) is 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Cc1ccccc1Br)C1CC1.
What is the InChIKey of 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid?
The InChIKey is TWLHWQOATJMVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c14-11-4-2-1-3-9(11)7-12(16)15(8-13(17)18)10-5-6-10/h1-4,10H,5-8H2,(H,17,18).
What are the key properties of 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid?
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid has a molecular weight of 312.16 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119194508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).