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-(Diethylamino)-2-oxoethoxy]acetic acid
CID 7320778
(2-Oxo-2-pyrrolidin-1-ylethoxy)acetic acid
CID 33697701
2-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethoxy]acetic acid
CID 55150172
2-[2-[3-Ethoxypropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327104
2-[2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327292
2-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61329824
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]-2-oxoethoxy]acetic acid
CID 65533845
7,16-Dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-2,6,17-trione
CID 546296
7,13-Dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 546301
3,6-Dioxaoctanediamide, N,N-diethyl-N'-methyl-N'-(2-hydroxy-2-oxoethyl)-
CID 567786
Acetic acid, [2-[2-(diethylamino)-2-oxoethoxy]ethoxy]-
CID 567793
10,19-Dimethyl-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-11,14,18-trione
CID 575682

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).