(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid

C10H12N2O4S — CID 54585122

IUPAC(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccco2)SC[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O4S/c11-4-8(13)12-6(10(14)15)5-17-9(12)7-2-1-3-16-7/h1-3,6,9H,4-5,11H2,(H,14,15)/t6-,9?/m0/s1
InChIKeyWXDYTQVSIHLOCQ-AADKRJSRSA-N
MW256.28 g/mol
LogP0.27
Rot. Bonds3

About (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54585122) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54585122
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccco2)SC[C@H]1C(=O)O
InChIInChI=1S/C10H12N2O4S/c11-4-8(13)12-6(10(14)15)5-17-9(12)7-2-1-3-16-7/h1-3,6,9H,4-5,11H2,(H,14,15)/t6-,9?/m0/s1
InChIKeyWXDYTQVSIHLOCQ-AADKRJSRSA-N
XLogP0.27
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid (CID 54585122) is (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid is NCC(=O)N1C(c2ccco2)SC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WXDYTQVSIHLOCQ-AADKRJSRSA-N. The full InChI is InChI=1S/C10H12N2O4S/c11-4-8(13)12-6(10(14)15)5-17-9(12)7-2-1-3-16-7/h1-3,6,9H,4-5,11H2,(H,14,15)/t6-,9?/m0/s1.
What are the key properties of (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-aminoacetyl)-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54585122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).