2-amino-5-(3-bromophenyl)pentanoic acid

C11H14BrNO2 — CID 83664408

IUPAC2-amino-5-(3-bromophenyl)pentanoic acid
SMILESNC(CCCc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C11H14BrNO2/c12-9-5-1-3-8(7-9)4-2-6-10(13)11(14)15/h1,3,5,7,10H,2,4,6,13H2,(H,14,15)
InChIKeyICAKTZIRBBZMQD-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.18
Rot. Bonds5

About 2-amino-5-(3-bromophenyl)pentanoic acid

2-amino-5-(3-bromophenyl)pentanoic acid (PubChem CID 83664408) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)pentanoic acid
PubChem CID83664408
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-amino-5-(3-bromophenyl)pentanoic acid
SMILESNC(CCCc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C11H14BrNO2/c12-9-5-1-3-8(7-9)4-2-6-10(13)11(14)15/h1,3,5,7,10H,2,4,6,13H2,(H,14,15)
InChIKeyICAKTZIRBBZMQD-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
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CID 85132413
4-(3-bromophenyl)-2-fluorobutanoic acid
CID 84729589
1-(3-bromophenyl)heptan-4-amine
CID 64504358
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
(3-bromophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983564
6-amino-2-[(3-bromophenyl)methyl]hexanoic acid
CID 104681509
2-amino-5-(2-bromophenyl)pentanoic acid
CID 83664407
(2S)-2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
CID 11962264
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(3-bromophenyl)pentanoic acid (CID 83664408) is 2-amino-5-(3-bromophenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(3-bromophenyl)pentanoic acid is NC(CCCc1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-amino-5-(3-bromophenyl)pentanoic acid?
The InChIKey is ICAKTZIRBBZMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-9-5-1-3-8(7-9)4-2-6-10(13)11(14)15/h1,3,5,7,10H,2,4,6,13H2,(H,14,15).
What are the key properties of 2-amino-5-(3-bromophenyl)pentanoic acid?
2-amino-5-(3-bromophenyl)pentanoic acid has a molecular weight of 272.14 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)pentanoic acid is sourced from PubChem (CID 83664408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).