2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid

C11H18N4O2S — CID 122061875

IUPAC2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnc(C)s2)C1
InChIInChI=1S/C11H18N4O2S/c1-3-15(6-10(16)17)9-4-8(5-9)12-11-14-13-7(2)18-11/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyYIHJVKMYCOJQOL-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.20
Rot. Bonds6

About 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122061875) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid
PubChem CID122061875
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnc(C)s2)C1
InChIInChI=1S/C11H18N4O2S/c1-3-15(6-10(16)17)9-4-8(5-9)12-11-14-13-7(2)18-11/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyYIHJVKMYCOJQOL-UHFFFAOYSA-N
XLogP1.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid (CID 122061875) is 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nnc(C)s2)C1.
What is the InChIKey of 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is YIHJVKMYCOJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-15(6-10(16)17)9-4-8(5-9)12-11-14-13-7(2)18-11/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 270.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).