2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid

C10H14N2O6S — CID 55247068

IUPAC2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H14N2O6S/c13-7(1-2-11-3-4-19-10(11)18)12(5-8(14)15)6-9(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyCDRHFVXCCWXNFP-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.46
Rot. Bonds7

About 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid

2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid (PubChem CID 55247068) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
PubChem CID55247068
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H14N2O6S/c13-7(1-2-11-3-4-19-10(11)18)12(5-8(14)15)6-9(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyCDRHFVXCCWXNFP-UHFFFAOYSA-N
XLogP-0.46
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid (CID 55247068) is 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)CCN1CCSC1=O.
What is the InChIKey of 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The InChIKey is CDRHFVXCCWXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c13-7(1-2-11-3-4-19-10(11)18)12(5-8(14)15)6-9(16)17/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid has a molecular weight of 290.30 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 55247068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).