2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate

C12H21N3O4 — CID 3076736

IUPAC2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
SMILESCN(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O4/c1-14(2)6-7-19-12(18)8-13-10(16)9-15-5-3-4-11(15)17/h3-9H2,1-2H3,(H,13,16)
InChIKeyUKPDDWSGIGBXNI-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.17
Rot. Bonds7

About 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate

2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate (PubChem CID 3076736) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
PubChem CID3076736
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
SMILESCN(C)CCOC(=O)CNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O4/c1-14(2)6-7-19-12(18)8-13-10(16)9-15-5-3-4-11(15)17/h3-9H2,1-2H3,(H,13,16)
InChIKeyUKPDDWSGIGBXNI-UHFFFAOYSA-N
XLogP-1.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate (CID 3076736) is 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate is CN(C)CCOC(=O)CNC(=O)CN1CCCC1=O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate?
The InChIKey is UKPDDWSGIGBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(2)6-7-19-12(18)8-13-10(16)9-15-5-3-4-11(15)17/h3-9H2,1-2H3,(H,13,16).
What are the key properties of 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate?
2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate has a molecular weight of 271.32 g/mol, XLogP of -1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 3076736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).