tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate

C15H21BrN2O3 — CID 80997627

IUPACtert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21BrN2O3/c1-9(2)12(14(20)21-15(3,4)5)18-13(19)11-7-6-10(16)8-17-11/h6-9,12H,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyBVIPYNSPSXQJJX-GFCCVEGCSA-N
MW357.25 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate

tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 80997627) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
PubChem CID80997627
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21BrN2O3/c1-9(2)12(14(20)21-15(3,4)5)18-13(19)11-7-6-10(16)8-17-11/h6-9,12H,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyBVIPYNSPSXQJJX-GFCCVEGCSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
tert-butyl (2S)-3-methyl-2-(pyrimidine-5-carbonylamino)butanoate
CID 104626655
tert-butyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 80703086
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 54389295

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate (CID 80997627) is tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate is CC(C)[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is BVIPYNSPSXQJJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-9(2)12(14(20)21-15(3,4)5)18-13(19)11-7-6-10(16)8-17-11/h6-9,12H,1-5H3,(H,18,19)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate?
tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 357.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 80997627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).