2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S — CID 57205512

IUPAC2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C(=O)O)C1NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C10H17NO4S/c1-4-5(8(12)13)7-11-6(9(14)15)10(2,3)16-7/h5-7,11H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHMEUAJLNXNOHIT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.99
Rot. Bonds4

About 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 57205512) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID57205512
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C(=O)O)C1NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C10H17NO4S/c1-4-5(8(12)13)7-11-6(9(14)15)10(2,3)16-7/h5-7,11H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHMEUAJLNXNOHIT-UHFFFAOYSA-N
XLogP0.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid hydrochloride
CID 3015648
Penicilloic acid
CID 52921568
2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid
CID 93964
2-Isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid
CID 98398
(4S)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2725071
2-Tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3734985
2-(2-Methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 22368030
2,5,5-Trimethylthiazolidine-4-carboxylic acid
CID 189933
5,5-Dimethylthiazolidine-2,4-dicarboxylic acid
CID 3035723
(4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 2727677
(4S)-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 107773719

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 57205512) is 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CCC(C(=O)O)C1NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HMEUAJLNXNOHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-4-5(8(12)13)7-11-6(9(14)15)10(2,3)16-7/h5-7,11H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 57205512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).