(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid

C7H12N2O3S — CID 139888270

IUPAC(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid
SMILES[2H]C(NC(C)=O)[C@@]1(C(=O)O)CSCN1
InChIInChI=1S/C7H12N2O3S/c1-5(10)8-2-7(6(11)12)3-13-4-9-7/h9H,2-4H2,1H3,(H,8,10)(H,11,12)/t7-/m0/s1/i2D/t2?,7-
InChIKeyLSZVUYNUHJJWBF-VMYUBSJCSA-N
MW205.26 g/mol
LogP-0.76
Rot. Bonds3

About (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 139888270) has the molecular formula C7H12N2O3S and a molecular weight of 205.26 g/mol. Its IUPAC name is (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID139888270
Molecular FormulaC7H12N2O3S
Molecular Weight205.26 g/mol
Exact Mass205.06
IUPAC Name(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid
SMILES[2H]C(NC(C)=O)[C@@]1(C(=O)O)CSCN1
InChIInChI=1S/C7H12N2O3S/c1-5(10)8-2-7(6(11)12)3-13-4-9-7/h9H,2-4H2,1H3,(H,8,10)(H,11,12)/t7-/m0/s1/i2D/t2?,7-
InChIKeyLSZVUYNUHJJWBF-VMYUBSJCSA-N
XLogP-0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid (CID 139888270) is (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid is [2H]C(NC(C)=O)[C@@]1(C(=O)O)CSCN1.
What is the InChIKey of (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LSZVUYNUHJJWBF-VMYUBSJCSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-5(10)8-2-7(6(11)12)3-13-4-9-7/h9H,2-4H2,1H3,(H,8,10)(H,11,12)/t7-/m0/s1/i2D/t2?,7-.
What are the key properties of (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[acetamido(deuterio)methyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 139888270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).