5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide

C14H20BrN3O4 — CID 173253748

IUPAC5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
SMILESBr.CC(C)(C)OC(=O)N(Cc1cnc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C14H19N3O4.BrH/c1-14(2,3)21-13(20)17(10-4-5-10)8-9-6-16-11(7-15-9)12(18)19;/h6-7,10H,4-5,8H2,1-3H3,(H,18,19);1H
InChIKeyMHAFYOKKGGGWIG-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.65
Rot. Bonds4

About 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide

5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide (PubChem CID 173253748) has the molecular formula C14H20BrN3O4 and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
PubChem CID173253748
Molecular FormulaC14H20BrN3O4
Molecular Weight374.24 g/mol
Exact Mass373.06
IUPAC Name5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
SMILESBr.CC(C)(C)OC(=O)N(Cc1cnc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C14H19N3O4.BrH/c1-14(2,3)21-13(20)17(10-4-5-10)8-9-6-16-11(7-15-9)12(18)19;/h6-7,10H,4-5,8H2,1-3H3,(H,18,19);1H
InChIKeyMHAFYOKKGGGWIG-UHFFFAOYSA-N
XLogP2.65
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide with MolForge

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Related Compounds

5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 166507581
CID 175963719
CID 175963719
5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122047834
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
CID 123620674
tert-butyl N-[[5-(cyanomethyl)-1-methylpyrazol-3-yl]methyl]-N-cyclopropylcarbamate
CID 129268416
3-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-nitrobenzoic acid
CID 70087450
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide?
The IUPAC name of 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide (CID 173253748) is 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide?
The canonical SMILES for 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide is Br.CC(C)(C)OC(=O)N(Cc1cnc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide?
The InChIKey is MHAFYOKKGGGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4.BrH/c1-14(2,3)21-13(20)17(10-4-5-10)8-9-6-16-11(7-15-9)12(18)19;/h6-7,10H,4-5,8H2,1-3H3,(H,18,19);1H.
What are the key properties of 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide?
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide has a molecular weight of 374.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 173253748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).