3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid

C15H20BrNO2 — CID 119994881

IUPAC3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c16-14-8-4-1-5-12(14)11-17(10-9-15(18)19)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,18,19)
InChIKeyVKZWBTTYMFYAGG-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.67
Rot. Bonds6

About 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid

3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid (PubChem CID 119994881) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
PubChem CID119994881
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c16-14-8-4-1-5-12(14)11-17(10-9-15(18)19)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,18,19)
InChIKeyVKZWBTTYMFYAGG-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[[(2-bromophenyl)methyl-cyclopentylcarbamoyl]amino]propanoic acid
CID 122018494
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid
CID 119135272
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid?
The IUPAC name of 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid (CID 119994881) is 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid?
The canonical SMILES for 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid is O=C(O)CCN(Cc1ccccc1Br)C1CCCC1.
What is the InChIKey of 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid?
The InChIKey is VKZWBTTYMFYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-14-8-4-1-5-12(14)11-17(10-9-15(18)19)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,18,19).
What are the key properties of 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid?
3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid has a molecular weight of 326.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid is sourced from PubChem (CID 119994881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).