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

C10H15N3O2S — CID 126600018

IUPAC2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)[C@H]1CC[C@@H](c2nnc(N)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-5(9(14)15)6-2-3-7(4-6)8-12-13-10(11)16-8/h5-7H,2-4H2,1H3,(H2,11,13)(H,14,15)/t5?,6-,7+/m0/s1
InChIKeyDMSZNOKDGZBSOP-BOJSHJERSA-N
MW241.32 g/mol
LogP1.72
Rot. Bonds3

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

2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid (PubChem CID 126600018) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
PubChem CID126600018
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)[C@H]1CC[C@@H](c2nnc(N)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-5(9(14)15)6-2-3-7(4-6)8-12-13-10(11)16-8/h5-7H,2-4H2,1H3,(H2,11,13)(H,14,15)/t5?,6-,7+/m0/s1
InChIKeyDMSZNOKDGZBSOP-BOJSHJERSA-N
XLogP1.72
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.72
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-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid?
The IUPAC name of 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid (CID 126600018) is 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid.
What is the SMILES notation for 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid?
The canonical SMILES for 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid is CC(C(=O)O)[C@H]1CC[C@@H](c2nnc(N)s2)C1.
What is the InChIKey of 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid?
The InChIKey is DMSZNOKDGZBSOP-BOJSHJERSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5(9(14)15)6-2-3-7(4-6)8-12-13-10(11)16-8/h5-7H,2-4H2,1H3,(H2,11,13)(H,14,15)/t5?,6-,7+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid?
2-[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid has a molecular weight of 241.32 g/mol, XLogP of 1.72, 3 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-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]propanoic acid is sourced from PubChem (CID 126600018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).