2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid

C10H12N4O3 — CID 64616457

IUPAC2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
SMILESNC(=O)c1nccnc1N1CC(CC(=O)O)C1
InChIInChI=1S/C10H12N4O3/c11-9(17)8-10(13-2-1-12-8)14-4-6(5-14)3-7(15)16/h1-2,6H,3-5H2,(H2,11,17)(H,15,16)
InChIKeySSFNZKSNSXMQCI-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.51
Rot. Bonds4

About 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid

2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid (PubChem CID 64616457) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
PubChem CID64616457
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
SMILESNC(=O)c1nccnc1N1CC(CC(=O)O)C1
InChIInChI=1S/C10H12N4O3/c11-9(17)8-10(13-2-1-12-8)14-4-6(5-14)3-7(15)16/h1-2,6H,3-5H2,(H2,11,17)(H,15,16)
InChIKeySSFNZKSNSXMQCI-UHFFFAOYSA-N
XLogP-0.51
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid (CID 64616457) is 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid is NC(=O)c1nccnc1N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid?
The InChIKey is SSFNZKSNSXMQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9(17)8-10(13-2-1-12-8)14-4-6(5-14)3-7(15)16/h1-2,6H,3-5H2,(H2,11,17)(H,15,16).
What are the key properties of 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid?
2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid has a molecular weight of 236.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).