2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid

C11H16N2O4S — CID 60826938

IUPAC2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CSC(=O)N1)C1CCCC1
InChIInChI=1S/C11H16N2O4S/c14-9(15)5-13(7-3-1-2-4-7)10(16)8-6-18-11(17)12-8/h7-8H,1-6H2,(H,12,17)(H,14,15)
InChIKeyANHXJSUPBYMBQV-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.67
Rot. Bonds4

About 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid

2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid (PubChem CID 60826938) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
PubChem CID60826938
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CSC(=O)N1)C1CCCC1
InChIInChI=1S/C11H16N2O4S/c14-9(15)5-13(7-3-1-2-4-7)10(16)8-6-18-11(17)12-8/h7-8H,1-6H2,(H,12,17)(H,14,15)
InChIKeyANHXJSUPBYMBQV-UHFFFAOYSA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43211125
N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106626889
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880
2-[cyclopentyl(piperidine-2-carbonyl)amino]acetic acid
CID 61159763
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
2-[cyclopentyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913615
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107435593
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161099
3-[(2-oxo-1,3-thiazolidine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 60831231
N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106627305
N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62686799
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid (CID 60826938) is 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CSC(=O)N1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The InChIKey is ANHXJSUPBYMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-9(15)5-13(7-3-1-2-4-7)10(16)8-6-18-11(17)12-8/h7-8H,1-6H2,(H,12,17)(H,14,15).
What are the key properties of 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 60826938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).