2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid

C13H21N3O3 — CID 43656521

IUPAC2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
SMILESCC(C)Cc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-11-14-12(19-15-11)7-16(8-13(17)18)6-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeySSPMBIIVEFOOFN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.56
Rot. Bonds8

About 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid

2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid (PubChem CID 43656521) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
PubChem CID43656521
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
SMILESCC(C)Cc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-11-14-12(19-15-11)7-16(8-13(17)18)6-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeySSPMBIIVEFOOFN-UHFFFAOYSA-N
XLogP1.56
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid (CID 43656521) is 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid is CC(C)Cc1noc(CN(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
The InChIKey is SSPMBIIVEFOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)5-11-14-12(19-15-11)7-16(8-13(17)18)6-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid?
2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid is sourced from PubChem (CID 43656521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).