2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid

C11H22N2O4 — CID 102991712

IUPAC2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
SMILESCCN(CCCN(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(7-5-6-12(2)3)10(14)8-17-9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyKJGQTBYUJQDWHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.11
Rot. Bonds9

About 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid

2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid (PubChem CID 102991712) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
PubChem CID102991712
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
SMILESCCN(CCCN(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-13(7-5-6-12(2)3)10(14)8-17-9-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyKJGQTBYUJQDWHU-UHFFFAOYSA-N
XLogP-0.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid (CID 102991712) is 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid is CCN(CCCN(C)C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid?
The InChIKey is KJGQTBYUJQDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-13(7-5-6-12(2)3)10(14)8-17-9-11(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid?
2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 102991712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).