2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid

C11H17N3O3 — CID 83080275

IUPAC2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1Cc1noc(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-11(10(15)16)5-4-6-14(11)7-9-12-8(2)17-13-9/h3-7H2,1-2H3,(H,15,16)
InChIKeyLYUJYPDTWXGMNU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.21
Rot. Bonds4

About 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080275) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID83080275
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1Cc1noc(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-11(10(15)16)5-4-6-14(11)7-9-12-8(2)17-13-9/h3-7H2,1-2H3,(H,15,16)
InChIKeyLYUJYPDTWXGMNU-UHFFFAOYSA-N
XLogP1.21
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 154746588
2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080112
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080451
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080450
1-[(3-bromofuran-2-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 106889586
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 83080275) is 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1Cc1noc(C)n1.
What is the InChIKey of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LYUJYPDTWXGMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-11(10(15)16)5-4-6-14(11)7-9-12-8(2)17-13-9/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).