2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid

C11H15N3O3S — CID 126600027

IUPAC2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
SMILESCC(=O)Nc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1
InChIInChI=1S/C11H15N3O3S/c1-6(15)12-11-14-13-10(18-11)8-3-2-7(4-8)5-9(16)17/h7-8H,2-5H2,1H3,(H,16,17)(H,12,14,15)/t7-,8+/m0/s1
InChIKeyKMQRYXNTOBTEMB-JGVFFNPUSA-N
MW269.33 g/mol
LogP1.85
Rot. Bonds4

About 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid

2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid (PubChem CID 126600027) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
PubChem CID126600027
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
SMILESCC(=O)Nc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1
InChIInChI=1S/C11H15N3O3S/c1-6(15)12-11-14-13-10(18-11)8-3-2-7(4-8)5-9(16)17/h7-8H,2-5H2,1H3,(H,16,17)(H,12,14,15)/t7-,8+/m0/s1
InChIKeyKMQRYXNTOBTEMB-JGVFFNPUSA-N
XLogP1.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid (CID 126600027) is 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid is CC(=O)Nc1nnc([C@@H]2CC[C@H](CC(=O)O)C2)s1.
What is the InChIKey of 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
The InChIKey is KMQRYXNTOBTEMB-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6(15)12-11-14-13-10(18-11)8-3-2-7(4-8)5-9(16)17/h7-8H,2-5H2,1H3,(H,16,17)(H,12,14,15)/t7-,8+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid?
2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid has a molecular weight of 269.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 126600027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).