4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid

C10H17N3O6S — CID 102885118

IUPAC4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-6-5-20(18,19)3-2-13(6)10(17)12-7(9(15)16)4-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyLNXGNDDJINMLIF-UHFFFAOYSA-N
MW307.33 g/mol
LogP-1.86
Rot. Bonds4

About 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 102885118) has the molecular formula C10H17N3O6S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID102885118
Molecular FormulaC10H17N3O6S
Molecular Weight307.33 g/mol
Exact Mass307.08
IUPAC Name4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-6-5-20(18,19)3-2-13(6)10(17)12-7(9(15)16)4-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyLNXGNDDJINMLIF-UHFFFAOYSA-N
XLogP-1.86
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]butanedioic acid
CID 102885035
(2S)-4-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pentanoic acid
CID 102885060
(2R)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102885194
4,4-dimethyl-3-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pentanoic acid
CID 102885368
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
3-methyl-2-[[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]butanoic acid
CID 102885317
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826453
4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid (CID 102885118) is 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid is CC1CS(=O)(=O)CCN1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is LNXGNDDJINMLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6S/c1-6-5-20(18,19)3-2-13(6)10(17)12-7(9(15)16)4-8(11)14/h6-7H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 307.33 g/mol, XLogP of -1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 102885118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).