2-amino-2-(4-bromophenyl)pentanoic acid

C11H14BrNO2 — CID 83743848

IUPAC2-amino-2-(4-bromophenyl)pentanoic acid
SMILESCCCC(N)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-7-11(13,10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyXAENDGLOVHXELL-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-2-(4-bromophenyl)pentanoic acid

2-amino-2-(4-bromophenyl)pentanoic acid (PubChem CID 83743848) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-amino-2-(4-bromophenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-bromophenyl)pentanoic acid
PubChem CID83743848
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-amino-2-(4-bromophenyl)pentanoic acid
SMILESCCCC(N)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-7-11(13,10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyXAENDGLOVHXELL-UHFFFAOYSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
3-amino-3-(4-bromophenyl)pentanoic acid
CID 64664733
2-amino-2-[(4-bromophenyl)methyl]hexanoic acid
CID 175669821
(2S)-2-amino-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 97304467
2-(4-bromophenyl)-2-ethoxycarbonyl-4-hydroxybutanoic acid
CID 103975020
(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
2-(4-bromophenyl)-2-methoxybutanoic acid
CID 83845054
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromophenyl)pentanoic acid?
The IUPAC name of 2-amino-2-(4-bromophenyl)pentanoic acid (CID 83743848) is 2-amino-2-(4-bromophenyl)pentanoic acid.
What is the SMILES notation for 2-amino-2-(4-bromophenyl)pentanoic acid?
The canonical SMILES for 2-amino-2-(4-bromophenyl)pentanoic acid is CCCC(N)(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-2-(4-bromophenyl)pentanoic acid?
The InChIKey is XAENDGLOVHXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-7-11(13,10(14)15)8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(4-bromophenyl)pentanoic acid?
2-amino-2-(4-bromophenyl)pentanoic acid has a molecular weight of 272.14 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromophenyl)pentanoic acid is sourced from PubChem (CID 83743848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).