2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid

C14H16N2O5S — CID 82033883

IUPAC2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
SMILESCCc1nc2sc(C(=O)NC(CC)C(=O)O)c(C)c2c(=O)o1
InChIInChI=1S/C14H16N2O5S/c1-4-7(13(18)19)15-11(17)10-6(3)9-12(22-10)16-8(5-2)21-14(9)20/h7H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyRLKORVQSSLQELU-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.71
Rot. Bonds5

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

2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid (PubChem CID 82033883) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
PubChem CID82033883
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
SMILESCCc1nc2sc(C(=O)NC(CC)C(=O)O)c(C)c2c(=O)o1
InChIInChI=1S/C14H16N2O5S/c1-4-7(13(18)19)15-11(17)10-6(3)9-12(22-10)16-8(5-2)21-14(9)20/h7H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyRLKORVQSSLQELU-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033891
(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
3-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoic acid
CID 82033890
(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
2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
CID 110836127
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836460
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
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid (CID 82033883) is 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid is CCc1nc2sc(C(=O)NC(CC)C(=O)O)c(C)c2c(=O)o1.
What is the InChIKey of 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
The InChIKey is RLKORVQSSLQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-4-7(13(18)19)15-11(17)10-6(3)9-12(22-10)16-8(5-2)21-14(9)20/h7H,4-5H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid?
2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid has a molecular weight of 324.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 82033883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).