2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid

C10H11N3O5S — CID 119171374

IUPAC2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C10H11N3O5S/c14-8(15)6-11-10(16)7-2-1-3-13-4-5-19(17,18)12-9(7)13/h1-3H,4-6H2,(H,11,16)(H,14,15)
InChIKeyLNDMWVMJXDTOJG-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-9-carbonyl)amino]acetic acid

2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid (PubChem CID 119171374) 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-9-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
PubChem CID119171374
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-9-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C10H11N3O5S/c14-8(15)6-11-10(16)7-2-1-3-13-4-5-19(17,18)12-9(7)13/h1-3H,4-6H2,(H,11,16)(H,14,15)
InChIKeyLNDMWVMJXDTOJG-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-9-carbonyl)amino]acetic acid with MolForge

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Related Compounds

3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]-2-methylpropanoic acid
CID 119237007
2,2-dioxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 51081159
N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808676
N-(2-benzamidophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55679576
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide;hydrochloride
CID 119534119
N-(4-methylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808193
N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55496155
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78807949
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
CID 55383405
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 86873518
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 100627963

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid (CID 119171374) is 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of 2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid?
The InChIKey is LNDMWVMJXDTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-8(15)6-11-10(16)7-2-1-3-13-4-5-19(17,18)12-9(7)13/h1-3H,4-6H2,(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-9-carbonyl)amino]acetic acid?
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-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-9-carbonyl)amino]acetic acid is sourced from PubChem (CID 119171374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).