2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid

C9H10N4O3 — CID 90063276

IUPAC2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
SMILES[H]/N=C(\C(N)=O)c1cnccc1NCC(=O)O
InChIInChI=1S/C9H10N4O3/c10-8(9(11)16)5-3-12-2-1-6(5)13-4-7(14)15/h1-3,10H,4H2,(H2,11,16)(H,12,13)(H,14,15)/b10-8-
InChIKeyNCZJPHNUWLZUFD-NTMALXAHSA-N
MW222.20 g/mol
LogP-0.57
Rot. Bonds5

About 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid

2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid (PubChem CID 90063276) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
PubChem CID90063276
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid
SMILES[H]/N=C(\C(N)=O)c1cnccc1NCC(=O)O
InChIInChI=1S/C9H10N4O3/c10-8(9(11)16)5-3-12-2-1-6(5)13-4-7(14)15/h1-3,10H,4H2,(H2,11,16)(H,12,13)(H,14,15)/b10-8-
InChIKeyNCZJPHNUWLZUFD-NTMALXAHSA-N
XLogP-0.57
TPSA129.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid (CID 90063276) is 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid is [H]/N=C(\C(N)=O)c1cnccc1NCC(=O)O.
What is the InChIKey of 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid?
The InChIKey is NCZJPHNUWLZUFD-NTMALXAHSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-8(9(11)16)5-3-12-2-1-6(5)13-4-7(14)15/h1-3,10H,4H2,(H2,11,16)(H,12,13)(H,14,15)/b10-8-.
What are the key properties of 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid?
2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid has a molecular weight of 222.20 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-amino-2-oxoethanimidoyl)-4-pyridinyl]amino]acetic acid is sourced from PubChem (CID 90063276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).