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

C11H20N2O3 — CID 83070348

IUPAC2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCNCC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(10(15)16)6-5-7-13(11)9(14)8-12-4-2/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyYXEHMICTRHYPPC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

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

2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070348) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID83070348
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCNCC(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-11(10(15)16)6-5-7-13(11)9(14)8-12-4-2/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyYXEHMICTRHYPPC-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 83070348) is 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid is CCNCC(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YXEHMICTRHYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(10(15)16)6-5-7-13(11)9(14)8-12-4-2/h12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).