2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

C11H15N3O4S — CID 65442912

IUPAC2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1nnc(NC(=O)CSCC2(CC(=O)O)CC2)o1
InChIInChI=1S/C11H15N3O4S/c1-7-13-14-10(18-7)12-8(15)5-19-6-11(2-3-11)4-9(16)17/h2-6H2,1H3,(H,16,17)(H,12,14,15)
InChIKeyDGVGWSKOKJQNGC-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.30
Rot. Bonds7

About 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65442912) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65442912
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1nnc(NC(=O)CSCC2(CC(=O)O)CC2)o1
InChIInChI=1S/C11H15N3O4S/c1-7-13-14-10(18-7)12-8(15)5-19-6-11(2-3-11)4-9(16)17/h2-6H2,1H3,(H,16,17)(H,12,14,15)
InChIKeyDGVGWSKOKJQNGC-UHFFFAOYSA-N
XLogP1.30
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65442912) is 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is Cc1nnc(NC(=O)CSCC2(CC(=O)O)CC2)o1.
What is the InChIKey of 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is DGVGWSKOKJQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-13-14-10(18-7)12-8(15)5-19-6-11(2-3-11)4-9(16)17/h2-6H2,1H3,(H,16,17)(H,12,14,15).
What are the key properties of 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).