2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid

C10H11N3O5S — CID 119171461

IUPAC2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C10H11N3O5S/c14-9(15)5-11-10(16)7-1-2-8-12-19(17,18)4-3-13(8)6-7/h1-2,6H,3-5H2,(H,11,16)(H,14,15)
InChIKeyNAFLQUZRCUWUNS-UHFFFAOYSA-N
MW285.28 g/mol
LogP-1.32
Rot. Bonds3

About 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid

2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid (PubChem CID 119171461) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
PubChem CID119171461
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C10H11N3O5S/c14-9(15)5-11-10(16)7-1-2-8-12-19(17,18)4-3-13(8)6-7/h1-2,6H,3-5H2,(H,11,16)(H,14,15)
InChIKeyNAFLQUZRCUWUNS-UHFFFAOYSA-N
XLogP-1.32
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid (CID 119171461) is 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid?
The InChIKey is NAFLQUZRCUWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-9(15)5-11-10(16)7-1-2-8-12-19(17,18)4-3-13(8)6-7/h1-2,6H,3-5H2,(H,11,16)(H,14,15).
What are the key properties of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid?
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid has a molecular weight of 285.28 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid is sourced from PubChem (CID 119171461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).