tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate

C16H26N4O2 — CID 100672357

IUPACtert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate
SMILESCC(C)N1CC[C@H](Nc2cnc(C(=O)OC(C)(C)C)cn2)C1
InChIInChI=1S/C16H26N4O2/c1-11(2)20-7-6-12(10-20)19-14-9-17-13(8-18-14)15(21)22-16(3,4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyXVEZAKHTPDTARH-LBPRGKRZSA-N
MW306.41 g/mol
LogP2.33
Rot. Bonds4

About tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate

tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate (PubChem CID 100672357) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate
PubChem CID100672357
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate
SMILESCC(C)N1CC[C@H](Nc2cnc(C(=O)OC(C)(C)C)cn2)C1
InChIInChI=1S/C16H26N4O2/c1-11(2)20-7-6-12(10-20)19-14-9-17-13(8-18-14)15(21)22-16(3,4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)/t12-/m0/s1
InChIKeyXVEZAKHTPDTARH-LBPRGKRZSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pyrazine-2-carboxylate
CID 119037503
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]pyrazine-2-carboxylic acid
CID 122054120
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide
CID 136629773
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate
CID 118983845

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate (CID 100672357) is tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate is CC(C)N1CC[C@H](Nc2cnc(C(=O)OC(C)(C)C)cn2)C1.
What is the InChIKey of tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate?
The InChIKey is XVEZAKHTPDTARH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)20-7-6-12(10-20)19-14-9-17-13(8-18-14)15(21)22-16(3,4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,19)/t12-/m0/s1.
What are the key properties of tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate?
tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 100672357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).