methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate

C12H17BrN2O2 — CID 51615677

IUPACmethyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate
SMILESCCCC[C@](N)(C(=O)OC)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-4-5-12(14,11(16)17-2)9-6-10(13)8-15-7-9/h6-8H,3-5,14H2,1-2H3/t12-/m1/s1
InChIKeyIMJCEDWUDGKTLD-GFCCVEGCSA-N
MW301.18 g/mol
LogP2.36
Rot. Bonds5

About methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate

methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate (PubChem CID 51615677) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate
PubChem CID51615677
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Namemethyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate
SMILESCCCC[C@](N)(C(=O)OC)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-4-5-12(14,11(16)17-2)9-6-10(13)8-15-7-9/h6-8H,3-5,14H2,1-2H3/t12-/m1/s1
InChIKeyIMJCEDWUDGKTLD-GFCCVEGCSA-N
XLogP2.36
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-benzylhexanoate;methyl 2-amino-2-benzyl-3-phenylpropanoate;methyl 2-amino-2-(3-bromophenyl)hexanoate;methyl 2-amino-2-(5-bromo-3-pyridinyl)hexanoate;methyl 2-amino-5-methyl-2-(3-methylbutyl)hexanoate;methyl 2-amino-2-phenylhexanoate
CID 158267957
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
CID 71742853
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
CID 59250866
methyl 2-amino-2-(4-bromophenyl)butanoate
CID 60795428
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl (3R)-3-amino-3-(5-bromo-3-pyridinyl)-2,2-dimethylpropanoate
CID 171239044
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate?
The IUPAC name of methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate (CID 51615677) is methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate?
The canonical SMILES for methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate is CCCC[C@](N)(C(=O)OC)c1cncc(Br)c1.
What is the InChIKey of methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate?
The InChIKey is IMJCEDWUDGKTLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-4-5-12(14,11(16)17-2)9-6-10(13)8-15-7-9/h6-8H,3-5,14H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate?
methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate has a molecular weight of 301.18 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(5-bromo-3-pyridinyl)hexanoate is sourced from PubChem (CID 51615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).