4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid

C11H15BrN2O2 — CID 115741272

IUPAC4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-14(4-2-3-11(15)16)8-9-5-10(12)7-13-6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyDZYPLZVIRHDGLM-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.14
Rot. Bonds6

About 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid

4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid (PubChem CID 115741272) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
PubChem CID115741272
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-14(4-2-3-11(15)16)8-9-5-10(12)7-13-6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyDZYPLZVIRHDGLM-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoate
CID 104810121
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
3-[(5-bromo-3-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 104800316
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
2-[N-[(5-bromo-3-pyridinyl)methyl]-4-methylanilino]acetic acid
CID 104800264

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid (CID 115741272) is 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid is CN(CCCC(=O)O)Cc1cncc(Br)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid?
The InChIKey is DZYPLZVIRHDGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(4-2-3-11(15)16)8-9-5-10(12)7-13-6-9/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid?
4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 115741272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).