2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid

C14H23N3O3 — CID 79268738

IUPAC2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(N(CC(=O)O)C(C)(C)C)c1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)8-16-7-6-15-12(13(16)20)17(9-11(18)19)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyOBIWKJPJGWSMPK-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.59
Rot. Bonds5

About 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid

2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (PubChem CID 79268738) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
PubChem CID79268738
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(N(CC(=O)O)C(C)(C)C)c1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)8-16-7-6-15-12(13(16)20)17(9-11(18)19)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyOBIWKJPJGWSMPK-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (CID 79268738) is 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is CC(C)Cn1ccnc(N(CC(=O)O)C(C)(C)C)c1=O.
What is the InChIKey of 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The InChIKey is OBIWKJPJGWSMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)8-16-7-6-15-12(13(16)20)17(9-11(18)19)14(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is sourced from PubChem (CID 79268738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).