5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid

C14H20BrNO3 — CID 115122814

IUPAC5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
SMILESCN(CCc1cccc(Br)c1)CC(O)CCC(=O)O
InChIInChI=1S/C14H20BrNO3/c1-16(10-13(17)5-6-14(18)19)8-7-11-3-2-4-12(15)9-11/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyWWFWCWKCVCGPRT-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.15
Rot. Bonds8

About 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid

5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid (PubChem CID 115122814) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
PubChem CID115122814
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
SMILESCN(CCc1cccc(Br)c1)CC(O)CCC(=O)O
InChIInChI=1S/C14H20BrNO3/c1-16(10-13(17)5-6-14(18)19)8-7-11-3-2-4-12(15)9-11/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyWWFWCWKCVCGPRT-UHFFFAOYSA-N
XLogP2.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
3-[2-(3-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042488
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853
1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 174586130
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
5-(5-bromo-N,2-dimethylanilino)-4-hydroxypentanoic acid
CID 115122644
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 54993578
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid?
The IUPAC name of 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid (CID 115122814) is 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid.
What is the SMILES notation for 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid?
The canonical SMILES for 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid is CN(CCc1cccc(Br)c1)CC(O)CCC(=O)O.
What is the InChIKey of 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid?
The InChIKey is WWFWCWKCVCGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-16(10-13(17)5-6-14(18)19)8-7-11-3-2-4-12(15)9-11/h2-4,9,13,17H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid?
5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid has a molecular weight of 330.22 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid is sourced from PubChem (CID 115122814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).