2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid

C8H10N4O3 — CID 55102950

IUPAC2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccnc1C(N)=O
InChIInChI=1S/C8H10N4O3/c1-12(4-5(13)14)8-6(7(9)15)10-2-3-11-8/h2-3H,4H2,1H3,(H2,9,15)(H,13,14)
InChIKeyMWDLPMZYWHXMFW-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.90
Rot. Bonds4

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

2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid (PubChem CID 55102950) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid
PubChem CID55102950
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccnc1C(N)=O
InChIInChI=1S/C8H10N4O3/c1-12(4-5(13)14)8-6(7(9)15)10-2-3-11-8/h2-3H,4H2,1H3,(H2,9,15)(H,13,14)
InChIKeyMWDLPMZYWHXMFW-UHFFFAOYSA-N
XLogP-0.90
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid (CID 55102950) is 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nccnc1C(N)=O.
What is the InChIKey of 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid?
The InChIKey is MWDLPMZYWHXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-12(4-5(13)14)8-6(7(9)15)10-2-3-11-8/h2-3H,4H2,1H3,(H2,9,15)(H,13,14).
What are the key properties of 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid?
2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpyrazin-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 55102950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).