(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid

C6H10N2O3S — CID 107774074

IUPAC(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(=O)CC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C6H10N2O3S/c7-4(9)1-5-8-3(2-12-5)6(10)11/h3,5,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,5?/m1/s1
InChIKeyISBGJWBUPHACDX-VXPOTGITSA-N
MW190.22 g/mol
LogP-1.02
Rot. Bonds3

About (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774074) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774074
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(=O)CC1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C6H10N2O3S/c7-4(9)1-5-8-3(2-12-5)6(10)11/h3,5,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,5?/m1/s1
InChIKeyISBGJWBUPHACDX-VXPOTGITSA-N
XLogP-1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500452
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500835
2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500725
2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
CID 68534955
(2S,4R)-2-(2,2-dimethylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 93078392
2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774011
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
CID 14535489

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid (CID 107774074) is (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid is NC(=O)CC1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ISBGJWBUPHACDX-VXPOTGITSA-N. The full InChI is InChI=1S/C6H10N2O3S/c7-4(9)1-5-8-3(2-12-5)6(10)11/h3,5,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,5?/m1/s1.
What are the key properties of (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 190.22 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).