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

C11H14N4O4 — CID 55156399

IUPAC2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H14N4O4/c16-8(13-6-9(17)18)5-14-10-11(19)15(4-3-12-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,14)(H,13,16)(H,17,18)
InChIKeyUMFSUZMJDXAANQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.81
Rot. Bonds6

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

2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 55156399) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid
PubChem CID55156399
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H14N4O4/c16-8(13-6-9(17)18)5-14-10-11(19)15(4-3-12-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,14)(H,13,16)(H,17,18)
InChIKeyUMFSUZMJDXAANQ-UHFFFAOYSA-N
XLogP-0.81
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid (CID 55156399) is 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1nccn(C2CC2)c1=O.
What is the InChIKey of 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is UMFSUZMJDXAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-8(13-6-9(17)18)5-14-10-11(19)15(4-3-12-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,14)(H,13,16)(H,17,18).
What are the key properties of 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 55156399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).