2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid

C7H13NO2S — CID 89380525

IUPAC2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid
SMILESCC1(C)CN[C@@H](CC(=O)O)S1
InChIInChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyYNNNXXRTJHNONB-RXMQYKEDSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds2

About 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid

2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid (PubChem CID 89380525) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid
PubChem CID89380525
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid
SMILESCC1(C)CN[C@@H](CC(=O)O)S1
InChIInChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyYNNNXXRTJHNONB-RXMQYKEDSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 2729265
4,4-Dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 3391922
Ethyl 2-(thiazolidin-2-yl)acetate
CID 294077
2-Thiazolidineacetic acid
CID 13451615
1,3-Thiazolidine-5-carboxylic acid
CID 14344103
Carboxymethyl-4-thiazolidinone
CID 20334485
2-(1,3-Thiazolidin-2-yl)acetic acid;hydrochloride
CID 13451616
2-(1,3-Thiazolidin-2-yl)propanoic acid;hydrochloride
CID 13451618
2-(2-Methyl-1,3-thiazolidin-2-yl)acetic acid
CID 13877363
3-Pyrrolidin-3-ylsulfanylpropanoic acid
CID 19736783
2,2-Dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 20369847
3-Butylsulfanyl-3-(methylamino)propanoic acid
CID 57723613

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid (CID 89380525) is 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid is CC1(C)CN[C@@H](CC(=O)O)S1.
What is the InChIKey of 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid?
The InChIKey is YNNNXXRTJHNONB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1.
What are the key properties of 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid?
2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid has a molecular weight of 175.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid is sourced from PubChem (CID 89380525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).