2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C10H11N3O4 — CID 54945914

IUPAC2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CC1
InChIInChI=1S/C10H11N3O4/c14-8-4-11-7(3-12-8)10(17)13(5-9(15)16)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,14)(H,15,16)
InChIKeyCGHFXZTVXGJKLX-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.54
Rot. Bonds4

About 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 54945914) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID54945914
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CC1
InChIInChI=1S/C10H11N3O4/c14-8-4-11-7(3-12-8)10(17)13(5-9(15)16)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,14)(H,15,16)
InChIKeyCGHFXZTVXGJKLX-UHFFFAOYSA-N
XLogP-0.54
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 54945914) is 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is CGHFXZTVXGJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-4-11-7(3-12-8)10(17)13(5-9(15)16)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,14)(H,15,16).
What are the key properties of 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 237.21 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54945914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).