2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 68905301

IUPAC2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid
SMILESCCCCN1CCC(C(=O)O)C1CC(N)=O
InChIInChI=1S/C11H20N2O3/c1-2-3-5-13-6-4-8(11(15)16)9(13)7-10(12)14/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyKJDJKJACSFLAFR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid

2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid (PubChem CID 68905301) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid
PubChem CID68905301
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid
SMILESCCCCN1CCC(C(=O)O)C1CC(N)=O
InChIInChI=1S/C11H20N2O3/c1-2-3-5-13-6-4-8(11(15)16)9(13)7-10(12)14/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyKJDJKJACSFLAFR-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid (CID 68905301) is 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid is CCCCN1CCC(C(=O)O)C1CC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid?
The InChIKey is KJDJKJACSFLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-5-13-6-4-8(11(15)16)9(13)7-10(12)14/h8-9H,2-7H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid?
2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-1-butylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 68905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).