2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid

C11H22N2O4 — CID 61328234

IUPAC2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)C(CNC(=O)COCC(=O)O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-8(2)9(13(3)4)5-12-10(14)6-17-7-11(15)16/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyDZPUYEFHYSIIAK-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.21
Rot. Bonds8

About 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61328234) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61328234
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)C(CNC(=O)COCC(=O)O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-8(2)9(13(3)4)5-12-10(14)6-17-7-11(15)16/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyDZPUYEFHYSIIAK-UHFFFAOYSA-N
XLogP-0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 79254836
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
2-[2-oxo-2-[2-[[2-(propan-2-yloxycarbonylamino)acetyl]amino]ethylamino]ethoxy]acetic acid
CID 163570676

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid (CID 61328234) is 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid is CC(C)C(CNC(=O)COCC(=O)O)N(C)C.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is DZPUYEFHYSIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(2)9(13(3)4)5-12-10(14)6-17-7-11(15)16/h8-9H,5-7H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).