2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid

C11H21N3O3 — CID 107425395

IUPAC2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C1CCN(C)C1=O
InChIInChI=1S/C11H21N3O3/c1-12(2)6-7-14(8-10(15)16)9-4-5-13(3)11(9)17/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyMTKXIWLXMLOYKW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.83
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid (PubChem CID 107425395) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid
PubChem CID107425395
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C1CCN(C)C1=O
InChIInChI=1S/C11H21N3O3/c1-12(2)6-7-14(8-10(15)16)9-4-5-13(3)11(9)17/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyMTKXIWLXMLOYKW-UHFFFAOYSA-N
XLogP-0.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid (CID 107425395) is 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid is CN(C)CCN(CC(=O)O)C1CCN(C)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid?
The InChIKey is MTKXIWLXMLOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-12(2)6-7-14(8-10(15)16)9-4-5-13(3)11(9)17/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 107425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).