2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C8H14N2O4S — CID 12548074

IUPAC2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(C(N)C(=O)O)NC1C(=O)O
InChIInChI=1S/C8H14N2O4S/c1-8(2)4(7(13)14)10-5(15-8)3(9)6(11)12/h3-5,10H,9H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPPYRCPVAMQAWKE-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.71
Rot. Bonds3

About 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 12548074) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID12548074
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(C(N)C(=O)O)NC1C(=O)O
InChIInChI=1S/C8H14N2O4S/c1-8(2)4(7(13)14)10-5(15-8)3(9)6(11)12/h3-5,10H,9H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPPYRCPVAMQAWKE-UHFFFAOYSA-N
XLogP-0.71
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 12548074) is 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(C(N)C(=O)O)NC1C(=O)O.
What is the InChIKey of 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PPYRCPVAMQAWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-8(2)4(7(13)14)10-5(15-8)3(9)6(11)12/h3-5,10H,9H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 12548074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).