2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

C13H23NO4 — CID 112602393

IUPAC2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-5-13(11(16)17)7-6-8-14(13)10(15)9-18-12(2,3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyBVGKKLXUDUTHPG-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.66
Rot. Bonds4

About 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 112602393) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID112602393
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-5-13(11(16)17)7-6-8-14(13)10(15)9-18-12(2,3)4/h5-9H2,1-4H3,(H,16,17)
InChIKeyBVGKKLXUDUTHPG-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
1-[3-(aminomethyl)pentanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070345
2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
2-ethyl-1-[2-(thian-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 83145192
1-but-2-ynoyl-2-ethylpyrrolidine-2-carboxylic acid
CID 107986958
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (CID 112602393) is 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)COC(C)(C)C.
What is the InChIKey of 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BVGKKLXUDUTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-13(11(16)17)7-6-8-14(13)10(15)9-18-12(2,3)4/h5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112602393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).