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

C13H19N3O3 — CID 55155062

IUPAC2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(NC(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-8(2)7-16-6-5-14-11(12(16)17)15-10(13(18)19)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyZZOZMJMHCVNFJY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.17
Rot. Bonds6

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

2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (PubChem CID 55155062) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
PubChem CID55155062
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
SMILESCC(C)Cn1ccnc(NC(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-8(2)7-16-6-5-14-11(12(16)17)15-10(13(18)19)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyZZOZMJMHCVNFJY-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid (CID 55155062) is 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is CC(C)Cn1ccnc(NC(C(=O)O)C2CC2)c1=O.
What is the InChIKey of 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
The InChIKey is ZZOZMJMHCVNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)7-16-6-5-14-11(12(16)17)15-10(13(18)19)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid?
2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid is sourced from PubChem (CID 55155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).