2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid

C11H21N3O4 — CID 79463566

IUPAC2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-13(2)9-3-5-14(7-9)11(17)12-4-6-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyIIAWHGRZPBESIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.57
Rot. Bonds6

About 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid

2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid (PubChem CID 79463566) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
PubChem CID79463566
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-13(2)9-3-5-14(7-9)11(17)12-4-6-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyIIAWHGRZPBESIQ-UHFFFAOYSA-N
XLogP-0.57
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid (CID 79463566) is 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid is CN(C)C1CCN(C(=O)NCCOCC(=O)O)C1.
What is the InChIKey of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is IIAWHGRZPBESIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-13(2)9-3-5-14(7-9)11(17)12-4-6-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid?
2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 259.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).