(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H16N2O4S — CID 113280688

IUPAC(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSC[C@H]2C(=O)O)CCOCC1
InChIInChI=1S/C10H16N2O4S/c11-10(1-3-16-4-2-10)9(15)12-6-17-5-7(12)8(13)14/h7H,1-6,11H2,(H,13,14)/t7-/m0/s1
InChIKeyVILAWRUHWLDYHO-ZETCQYMHSA-N
MW260.31 g/mol
LogP-0.52
Rot. Bonds2

About (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 113280688) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID113280688
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSC[C@H]2C(=O)O)CCOCC1
InChIInChI=1S/C10H16N2O4S/c11-10(1-3-16-4-2-10)9(15)12-6-17-5-7(12)8(13)14/h7H,1-6,11H2,(H,13,14)/t7-/m0/s1
InChIKeyVILAWRUHWLDYHO-ZETCQYMHSA-N
XLogP-0.52
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 113280688) is (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is NC1(C(=O)N2CSC[C@H]2C(=O)O)CCOCC1.
What is the InChIKey of (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VILAWRUHWLDYHO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O4S/c11-10(1-3-16-4-2-10)9(15)12-6-17-5-7(12)8(13)14/h7H,1-6,11H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 113280688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).