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

C15H20BrNO2 — CID 65058930

IUPAC2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
SMILESCC(c1ccccc1Br)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11(13-8-4-5-9-14(13)16)17(10-15(18)19)12-6-2-3-7-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19)
InChIKeyQIVQMNCUOJYJGQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.84
Rot. Bonds5

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

2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid (PubChem CID 65058930) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
PubChem CID65058930
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
SMILESCC(c1ccccc1Br)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11(13-8-4-5-9-14(13)16)17(10-15(18)19)12-6-2-3-7-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19)
InChIKeyQIVQMNCUOJYJGQ-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
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
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
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
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
CID 65058595
methyl 2-(2-bromophenyl)-3-[cyclopentyl(methyl)amino]butanoate
CID 126747507

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid (CID 65058930) is 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid is CC(c1ccccc1Br)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid?
The InChIKey is QIVQMNCUOJYJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11(13-8-4-5-9-14(13)16)17(10-15(18)19)12-6-2-3-7-12/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid?
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid has a molecular weight of 326.23 g/mol, XLogP of 3.84, 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-cyclopentylamino]acetic acid is sourced from PubChem (CID 65058930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).