2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

C10H20N2O4 — CID 61327262

IUPAC2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(C)(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,12(3)4)7-11-8(13)5-16-6-9(14)15/h5-7H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyLBPINTYWXFPXMT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.46
Rot. Bonds7

About 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61327262) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61327262
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C(C)(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,12(3)4)7-11-8(13)5-16-6-9(14)15/h5-7H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyLBPINTYWXFPXMT-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (CID 61327262) is 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is CN(C)C(C)(C)CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is LBPINTYWXFPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,12(3)4)7-11-8(13)5-16-6-9(14)15/h5-7H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).