2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

C12H22N2O3 — CID 83070935

IUPAC2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)C(C)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-12(11(16)17)7-6-8-14(12)9(3)10(15)13-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyCYOLTUHVDLUECY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

About 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 83070935) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID83070935
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)C(C)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-12(11(16)17)7-6-8-14(12)9(3)10(15)13-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyCYOLTUHVDLUECY-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83079824
2-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080884
2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080724
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-2-carboxylic acid
CID 83062903
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (CID 83070935) is 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is CCNC(=O)C(C)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is CYOLTUHVDLUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-12(11(16)17)7-6-8-14(12)9(3)10(15)13-5-2/h9H,4-8H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).