(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione

C6H10N2O5S — CID 87840425

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione
SMILESN[C@@H](CO)C(=O)O.O=C1CSC(=O)N1
InChIInChI=1S/C3H7NO3.C3H3NO2S/c4-2(1-5)3(6)7;5-2-1-7-3(6)4-2/h2,5H,1,4H2,(H,6,7);1H2,(H,4,5,6)/t2-;/m0./s1
InChIKeyCIMRBNOFSGBUHH-DKWTVANSSA-N
MW222.22 g/mol
LogP-1.64
Rot. Bonds2

About (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione

(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione (PubChem CID 87840425) has the molecular formula C6H10N2O5S and a molecular weight of 222.22 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione
PubChem CID87840425
Molecular FormulaC6H10N2O5S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione
SMILESN[C@@H](CO)C(=O)O.O=C1CSC(=O)N1
InChIInChI=1S/C3H7NO3.C3H3NO2S/c4-2(1-5)3(6)7;5-2-1-7-3(6)4-2/h2,5H,1,4H2,(H,6,7);1H2,(H,4,5,6)/t2-;/m0./s1
InChIKeyCIMRBNOFSGBUHH-DKWTVANSSA-N
XLogP-1.64
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione (CID 87840425) is (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione is N[C@@H](CO)C(=O)O.O=C1CSC(=O)N1.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione?
The InChIKey is CIMRBNOFSGBUHH-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO3.C3H3NO2S/c4-2(1-5)3(6)7;5-2-1-7-3(6)4-2/h2,5H,1,4H2,(H,6,7);1H2,(H,4,5,6)/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione?
(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione has a molecular weight of 222.22 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87840425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).