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

C9H16N2O3S — CID 20699081

IUPAC2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNCC(=O)N1C(C(=O)O)CSC1(C)C
InChIInChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10-3)6(5-15-9)8(13)14/h6,10H,4-5H2,1-3H3,(H,13,14)
InChIKeyUOZVNIANQHCMDK-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.03
Rot. Bonds3

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

2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 20699081) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID20699081
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNCC(=O)N1C(C(=O)O)CSC1(C)C
InChIInChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10-3)6(5-15-9)8(13)14/h6,10H,4-5H2,1-3H3,(H,13,14)
InChIKeyUOZVNIANQHCMDK-UHFFFAOYSA-N
XLogP-0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methionylalanine
CID 14878381
L-Methionyl-L-alanine
CID 7009581
Alanyl-methionine
CID 85744
DL-Alanyl-DL-methionine
CID 98509
2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetic acid
CID 477573
2-Acetamido-3-butylsulfanylpropanoic acid
CID 64141041
L-Cysteine, N-acetyl-, dipropylcarbamate (ester)
CID 43782
3-Glycyl-2-methyl-1,3-thiazolidine-4-carboxylic acid--hydrogen bromide (1/1)
CID 3065224
4-Thiazolidinecarboxylic acid, 3-glycyl-2-methyl-, ethyl ester, hydrobromide
CID 3065226
2-Acetamido-3-(thiolan-1-ium-1-yl)propanoic acid
CID 118753527
Cartasteine
CID 193952
Ala-Eth
CID 53645032

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 20699081) is 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is CNCC(=O)N1C(C(=O)O)CSC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UOZVNIANQHCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2)11(7(12)4-10-3)6(5-15-9)8(13)14/h6,10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 20699081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).