2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H17N3O4S — CID 63781178

IUPAC2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(=O)CCNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-6-13(7(5-18-6)9(15)16)10(17)12-4-3-8(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyOBKCFWUCCHSUSZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.32
Rot. Bonds4

About 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781178) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781178
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(=O)CCNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-6-13(7(5-18-6)9(15)16)10(17)12-4-3-8(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyOBKCFWUCCHSUSZ-UHFFFAOYSA-N
XLogP-0.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781178) is 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CNC(=O)CCNC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OBKCFWUCCHSUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-6-13(7(5-18-6)9(15)16)10(17)12-4-3-8(14)11-2/h6-7H,3-5H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).