3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid

C14H16N2O5S — CID 82033890

IUPAC3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NCCC(=O)O)sc2nc(C(C)C)oc(=O)c12
InChIInChI=1S/C14H16N2O5S/c1-6(2)12-16-13-9(14(20)21-12)7(3)10(22-13)11(19)15-5-4-8(17)18/h6H,4-5H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZKGJLEBPRYKAHB-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.89
Rot. Bonds5

About 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid

3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid (PubChem CID 82033890) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
PubChem CID82033890
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NCCC(=O)O)sc2nc(C(C)C)oc(=O)c12
InChIInChI=1S/C14H16N2O5S/c1-6(2)12-16-13-9(14(20)21-12)7(3)10(22-13)11(19)15-5-4-8(17)18/h6H,4-5H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZKGJLEBPRYKAHB-UHFFFAOYSA-N
XLogP1.89
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033891
N-hexadecyl-5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030791
2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033883
5-methyl-2-octoxy-N-octyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030738
4-[[4-(dimethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]amino]butanoic acid
CID 82033181
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
5-methyl-2-(octylamino)-4-oxo-N-(4-phenylbutyl)thieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030726
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
2-(heptylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylic acid
CID 22053913
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid (CID 82033890) is 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid is Cc1c(C(=O)NCCC(=O)O)sc2nc(C(C)C)oc(=O)c12.
What is the InChIKey of 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid?
The InChIKey is ZKGJLEBPRYKAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-6(2)12-16-13-9(14(20)21-12)7(3)10(22-13)11(19)15-5-4-8(17)18/h6H,4-5H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid?
3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid has a molecular weight of 324.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82033890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).