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

C8H12N2O5S — CID 64895742

IUPAC3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(CC(=O)O)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H12N2O5S/c9-4(1-6(11)12)7(13)10-3-16-2-5(10)8(14)15/h4-5H,1-3,9H2,(H,11,12)(H,14,15)
InChIKeyLQQIVIITYCGXOG-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.23
Rot. Bonds4

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

3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64895742) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID64895742
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(CC(=O)O)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H12N2O5S/c9-4(1-6(11)12)7(13)10-3-16-2-5(10)8(14)15/h4-5H,1-3,9H2,(H,11,12)(H,14,15)
InChIKeyLQQIVIITYCGXOG-UHFFFAOYSA-N
XLogP-1.23
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104984151
(4R)-3-[(2S)-2-amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104984152
3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-acetyl-1,3-thiazolidine-4-carboxylic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 13254309
(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80552142
(4S)-3-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 12889997

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 64895742) is 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is NC(CC(=O)O)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LQQIVIITYCGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c9-4(1-6(11)12)7(13)10-3-16-2-5(10)8(14)15/h4-5H,1-3,9H2,(H,11,12)(H,14,15).
What are the key properties of 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64895742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).