2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

C7H12N2O3S — CID 80500452

IUPAC2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C7H12N2O3S/c1-8-5(10)2-6-9-4(3-13-6)7(11)12/h4,6,9H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyMPMVDMXPCFNWKB-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.76
Rot. Bonds3

About 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500452) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500452
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(=O)CC1NC(C(=O)O)CS1
InChIInChI=1S/C7H12N2O3S/c1-8-5(10)2-6-9-4(3-13-6)7(11)12/h4,6,9H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyMPMVDMXPCFNWKB-UHFFFAOYSA-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 ≤ 500204.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-Methylthiazolidine-4-carboxylic acid
CID 160736
(2S)-2-acetamido-3-ethylsulfanylpropanoic acid
CID 70695244
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
4-Thiazolidinecarboxylic acid, 2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069931
S-ethyl-N-acetyl-cysteine
CID 19896458
(2R)-3-methylsulfanyl-2-(propanoylamino)propanoic acid
CID 145992042
2-Methyl-2,4-thiazolidinedicarboxylic acid
CID 98342
L-Cysteine, N-acetyl-S-ethyl-
CID 147382
(4S)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 2724963

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid (CID 80500452) is 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid is CNC(=O)CC1NC(C(=O)O)CS1.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MPMVDMXPCFNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-8-5(10)2-6-9-4(3-13-6)7(11)12/h4,6,9H,2-3H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid?
2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 204.25 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 2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).