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

C11H17N3O3 — CID 43656584

IUPAC2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-2-9-12-10(17-13-9)6-14(7-11(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16)
InChIKeyAQDIYILWQDCACU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds7

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

2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (PubChem CID 43656584) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
PubChem CID43656584
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
SMILESCCc1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-2-9-12-10(17-13-9)6-14(7-11(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16)
InChIKeyAQDIYILWQDCACU-UHFFFAOYSA-N
XLogP0.93
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid (CID 43656584) is 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is CCc1noc(CN(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is AQDIYILWQDCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-9-12-10(17-13-9)6-14(7-11(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).