2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid

C10H14N2O4S — CID 54946220

IUPAC2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1CSCC1=O)C1CC1
InChIInChI=1S/C10H14N2O4S/c13-8(3-11-6-17-5-9(11)14)12(4-10(15)16)7-1-2-7/h7H,1-6H2,(H,15,16)
InChIKeyPCWDRPTYQMCQFK-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.41
Rot. Bonds5

About 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 54946220) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID54946220
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CN1CSCC1=O)C1CC1
InChIInChI=1S/C10H14N2O4S/c13-8(3-11-6-17-5-9(11)14)12(4-10(15)16)7-1-2-7/h7H,1-6H2,(H,15,16)
InChIKeyPCWDRPTYQMCQFK-UHFFFAOYSA-N
XLogP-0.41
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

3-[2-[Acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172193
2-[Methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43356159
N-cyclopropyl-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43576684
2-[Cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43655391
2-[Cyclopropylmethyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43655875
2-[Butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 54925918
2-[Cyclopropyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
CID 54946213
Ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 54983828
3-[2-[Acetyl(methyl)amino]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 55235127
3-[2-[Acetyl(methyl)amino]acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 55235715
2-[Carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 55246126
2-[Carboxymethyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetic acid
CID 55247068

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 54946220) is 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)CN1CSCC1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is PCWDRPTYQMCQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c13-8(3-11-6-17-5-9(11)14)12(4-10(15)16)7-1-2-7/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54946220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).