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

C15H18N2O5S — CID 82033891

IUPAC2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1sc2nc(C(C)C)oc(=O)c2c1C)C(=O)O
InChIInChI=1S/C15H18N2O5S/c1-5-8(14(19)20)16-11(18)10-7(4)9-13(23-10)17-12(6(2)3)22-15(9)21/h6,8H,5H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyWWJXSFWVPZFGFB-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.27
Rot. Bonds5

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

2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid (PubChem CID 82033891) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
PubChem CID82033891
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1sc2nc(C(C)C)oc(=O)c2c1C)C(=O)O
InChIInChI=1S/C15H18N2O5S/c1-5-8(14(19)20)16-11(18)10-7(4)9-13(23-10)17-12(6(2)3)22-15(9)21/h6,8H,5H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyWWJXSFWVPZFGFB-UHFFFAOYSA-N
XLogP2.27
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033883
3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
CID 82033890
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 82032721
(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
CID 99701940
2-[[2-[(dimethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl]amino]butanedioic acid
CID 110496717
benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 139788293
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-hexadecyl-5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]oxazine-6-carboxamide
CID 21030791
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
2-(heptylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carboxylic acid
CID 22053913

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid (CID 82033891) is 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid is CCC(NC(=O)c1sc2nc(C(C)C)oc(=O)c2c1C)C(=O)O.
What is the InChIKey of 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The InChIKey is WWJXSFWVPZFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-5-8(14(19)20)16-11(18)10-7(4)9-13(23-10)17-12(6(2)3)22-15(9)21/h6,8H,5H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid has a molecular weight of 338.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 82033891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).