2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid

C10H11N3O4 — CID 64605803

IUPAC2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C10H11N3O4/c14-8-3-11-7(2-12-8)10(17)13-4-6(5-13)1-9(15)16/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16)
InChIKeyHRIPDUNBZJSPRX-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.68
Rot. Bonds3

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

2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64605803) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64605803
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C10H11N3O4/c14-8-3-11-7(2-12-8)10(17)13-4-6(5-13)1-9(15)16/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16)
InChIKeyHRIPDUNBZJSPRX-UHFFFAOYSA-N
XLogP-0.68
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid (CID 64605803) is 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is HRIPDUNBZJSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-3-11-7(2-12-8)10(17)13-4-6(5-13)1-9(15)16/h2-3,6H,1,4-5H2,(H,12,14)(H,15,16).
What are the key properties of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).