(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C14H18BrN3O4 — CID 124919088

IUPAC(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C(=O)O)c1cnc(Br)cn1
InChIInChI=1S/C14H18BrN3O4/c1-13(2,3)22-12(21)18-6-4-5-14(18,11(19)20)9-7-17-10(15)8-16-9/h7-8H,4-6H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyZQDPXPHRZSGRTD-CQSZACIVSA-N
MW372.22 g/mol
LogP2.55
Rot. Bonds2

About (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 124919088) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID124919088
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C(=O)O)c1cnc(Br)cn1
InChIInChI=1S/C14H18BrN3O4/c1-13(2,3)22-12(21)18-6-4-5-14(18,11(19)20)9-7-17-10(15)8-16-9/h7-8H,4-6H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyZQDPXPHRZSGRTD-CQSZACIVSA-N
XLogP2.55
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
(2R)-2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 134421765
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
CID 10561852
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 7135694
2-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 175733208
tert-butyl 1-(5-bromopyrazin-2-yl)pyrrolidine-2-carboxylate
CID 86280211
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 124919088) is (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@]1(C(=O)O)c1cnc(Br)cn1.
What is the InChIKey of (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZQDPXPHRZSGRTD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c1-13(2,3)22-12(21)18-6-4-5-14(18,11(19)20)9-7-17-10(15)8-16-9/h7-8H,4-6H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromopyrazin-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124919088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).