2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid

C11H21N3O3 — CID 107530443

IUPAC2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C11H21N3O3/c1-13(2)5-6-14(8-11(16)17)7-9-3-4-10(15)12-9/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyYIHRAWKYIHYTQQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.79
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid (PubChem CID 107530443) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
PubChem CID107530443
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C11H21N3O3/c1-13(2)5-6-14(8-11(16)17)7-9-3-4-10(15)12-9/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyYIHRAWKYIHYTQQ-UHFFFAOYSA-N
XLogP-0.79
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Diprotin A
CID 94701
L-Alanyl-L-proline
CID 83525
L-Prolylglycine
CID 6426709
Gln-Gly
CID 6992691
L-Lysyl-L-proline
CID 171204
L-prolinylglycine zwitterion
CID 7408076
5-oxo-L-prolyl-L-glutamine
CID 11010621
Glycyl-prolyl-glutamic acid
CID 3080768
L-Valyl-L-prolyl-L-leucine
CID 146208
Lys-Gly
CID 7022320
Lys-Ala
CID 7010504
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid (CID 107530443) is 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid is CN(C)CCN(CC(=O)O)CC1CCC(=O)N1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The InChIKey is YIHRAWKYIHYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13(2)5-6-14(8-11(16)17)7-9-3-4-10(15)12-9/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid has a molecular weight of 243.31 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107530443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).