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

C11H16N2O4S — CID 54946213

IUPAC2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCN1CCSC1=O)C1CC1
InChIInChI=1S/C11H16N2O4S/c14-9(3-4-12-5-6-18-11(12)17)13(7-10(15)16)8-1-2-8/h8H,1-7H2,(H,15,16)
InChIKeyZAIQYYHMQLPXFR-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.62
Rot. Bonds6

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

2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid (PubChem CID 54946213) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
PubChem CID54946213
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCN1CCSC1=O)C1CC1
InChIInChI=1S/C11H16N2O4S/c14-9(3-4-12-5-6-18-11(12)17)13(7-10(15)16)8-1-2-8/h8H,1-7H2,(H,15,16)
InChIKeyZAIQYYHMQLPXFR-UHFFFAOYSA-N
XLogP0.62
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid (CID 54946213) is 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCN1CCSC1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
The InChIKey is ZAIQYYHMQLPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-9(3-4-12-5-6-18-11(12)17)13(7-10(15)16)8-1-2-8/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 54946213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).