methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate

C12H19N3O3 — CID 80709119

IUPACmethyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nnc(C)o1)C1CCCC1
InChIInChI=1S/C12H19N3O3/c1-9-13-14-11(18-9)7-15(8-12(16)17-2)10-5-3-4-6-10/h10H,3-8H2,1-2H3
InChIKeyWVHPNOIYCWTMAO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate (PubChem CID 80709119) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
PubChem CID80709119
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nnc(C)o1)C1CCCC1
InChIInChI=1S/C12H19N3O3/c1-9-13-14-11(18-9)7-15(8-12(16)17-2)10-5-3-4-6-10/h10H,3-8H2,1-2H3
InChIKeyWVHPNOIYCWTMAO-UHFFFAOYSA-N
XLogP1.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate (CID 80709119) is methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate is COC(=O)CN(Cc1nnc(C)o1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?
The InChIKey is WVHPNOIYCWTMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-13-14-11(18-9)7-15(8-12(16)17-2)10-5-3-4-6-10/h10H,3-8H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate is sourced from PubChem (CID 80709119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).