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

C14H20ClN3O3 — CID 107258038

IUPACtert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1cnc(Cl)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClN3O3/c1-8(2)11(13(20)21-14(3,4)5)18-12(19)9-6-17-10(15)7-16-9/h6-8,11H,1-5H3,(H,18,19)/t11-/m1/s1
InChIKeyHVWRWYHYSGSOBH-LLVKDONJSA-N
MW313.79 g/mol
LogP2.23
Rot. Bonds4

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

tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 107258038) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
PubChem CID107258038
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Nametert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1cnc(Cl)cn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClN3O3/c1-8(2)11(13(20)21-14(3,4)5)18-12(19)9-6-17-10(15)7-16-9/h6-8,11H,1-5H3,(H,18,19)/t11-/m1/s1
InChIKeyHVWRWYHYSGSOBH-LLVKDONJSA-N
XLogP2.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoate
CID 80997627
tert-butyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 80703086
tert-butyl (2S)-3-methyl-2-(pyrimidine-5-carbonylamino)butanoate
CID 104626655
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
CID 43407775
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
tert-butyl (2S)-3-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 80707602
5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
CID 107258530
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
tert-butyl (2S)-2-[(6-chloropyrazine-2-carbonyl)amino]propanoate
CID 106551571

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate (CID 107258038) is tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate is CC(C)[C@@H](NC(=O)c1cnc(Cl)cn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is HVWRWYHYSGSOBH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-8(2)11(13(20)21-14(3,4)5)18-12(19)9-6-17-10(15)7-16-9/h6-8,11H,1-5H3,(H,18,19)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate?
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 313.79 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 107258038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).