tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate

C14H22N4O3 — CID 125461656

IUPACtert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCOc1nccnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)17-10-5-8-18(9-10)11-12(20-4)16-7-6-15-11/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyVUCYMBHIZFYOOK-SNVBAGLBSA-N
MW294.35 g/mol
LogP1.59
Rot. Bonds3

About tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 125461656) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID125461656
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCOc1nccnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)17-10-5-8-18(9-10)11-12(20-4)16-7-6-15-11/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyVUCYMBHIZFYOOK-SNVBAGLBSA-N
XLogP1.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate (CID 125461656) is tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate is COc1nccnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is VUCYMBHIZFYOOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)17-10-5-8-18(9-10)11-12(20-4)16-7-6-15-11/h6-7,10H,5,8-9H2,1-4H3,(H,17,19)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 125461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).