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

C15H24N4O3 — CID 71648399

IUPACtert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCOc1nccnc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-8-19(9-11)10-12-13(21-4)17-7-6-16-12/h6-7,11H,5,8-10H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyNEPTUFYPTQDBRV-LLVKDONJSA-N
MW308.38 g/mol
LogP1.58
Rot. Bonds4

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

tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate (PubChem CID 71648399) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate
PubChem CID71648399
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCOc1nccnc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-8-19(9-11)10-12-13(21-4)17-7-6-16-12/h6-7,11H,5,8-10H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyNEPTUFYPTQDBRV-LLVKDONJSA-N
XLogP1.58
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
tert-butyl N-[1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]carbamate
CID 175191930
tert-butyl N-[(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71629139
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
tert-butyl N-[1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71632178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate (CID 71648399) is tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate is COc1nccnc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate?
The InChIKey is NEPTUFYPTQDBRV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)18-11-5-8-19(9-11)10-12-13(21-4)17-7-6-16-12/h6-7,11H,5,8-10H2,1-4H3,(H,18,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.58, 4 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)methyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 71648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).