2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde

C11H17NO5S — CID 159636557

IUPAC2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
SMILESC=O.CCC(=O)N1C(C(=O)O)CSC1(C)C(C)=O
InChIInChI=1S/C10H15NO4S.CH2O/c1-4-8(13)11-7(9(14)15)5-16-10(11,3)6(2)12;1-2/h7H,4-5H2,1-3H3,(H,14,15);1H2
InChIKeyMPUYRAULDXUJQL-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.55
Rot. Bonds3

About 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde

2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde (PubChem CID 159636557) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde.

Molecular Properties

Compound Name2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
PubChem CID159636557
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
SMILESC=O.CCC(=O)N1C(C(=O)O)CSC1(C)C(C)=O
InChIInChI=1S/C10H15NO4S.CH2O/c1-4-8(13)11-7(9(14)15)5-16-10(11,3)6(2)12;1-2/h7H,4-5H2,1-3H3,(H,14,15);1H2
InChIKeyMPUYRAULDXUJQL-UHFFFAOYSA-N
XLogP0.55
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-diacetyl-2-methyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
CID 161175138
(4R)-3-(3-acetylsulfanylpropanoyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 12890003
(4R)-2,2-dimethyl-3-(2-oxooctanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 11507718
N-[2-(4-carboxy-2,2-dimethyl-1,3-thiazolidin-3-yl)-2-oxoethyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 20623462
(2S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 161467903
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 7438953
1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 167481102
3-acetyl-2-(5-acetyloxy-2-hydroxyphenyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 57088424
(4R)-2,2-dimethyl-3-[(2R)-2-methyl-4-oxo-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54245865
3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 71498111
(3R)-8-methyl-4-[(2R)-2-methyl-3-sulfanylpropanoyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 88676857

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde?
The IUPAC name of 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde (CID 159636557) is 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde.
What is the SMILES notation for 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde?
The canonical SMILES for 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde is C=O.CCC(=O)N1C(C(=O)O)CSC1(C)C(C)=O.
What is the InChIKey of 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde?
The InChIKey is MPUYRAULDXUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S.CH2O/c1-4-8(13)11-7(9(14)15)5-16-10(11,3)6(2)12;1-2/h7H,4-5H2,1-3H3,(H,14,15);1H2.
What are the key properties of 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde?
2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde has a molecular weight of 275.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-methyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde is sourced from PubChem (CID 159636557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).