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

C13H21N3O3 — CID 62939610

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-7-15(9-10(17)18)11-12(19)16(8-6-14-11)13(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyMNTROECZKBIYDV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.30
Rot. Bonds5

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

2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid (PubChem CID 62939610) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
PubChem CID62939610
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-7-15(9-10(17)18)11-12(19)16(8-6-14-11)13(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyMNTROECZKBIYDV-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid (CID 62939610) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The InChIKey is MNTROECZKBIYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-15(9-10(17)18)11-12(19)16(8-6-14-11)13(2,3)4/h6,8H,5,7,9H2,1-4H3,(H,17,18).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid is sourced from PubChem (CID 62939610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).