2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid

C10H19NO4 — CID 79456707

IUPAC2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
SMILESCC(C)C(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)8(3)10(14)11-4-5-15-6-9(12)13/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeySCZQIRLEGSMINV-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.50
Rot. Bonds7

About 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid

2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid (PubChem CID 79456707) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
PubChem CID79456707
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
SMILESCC(C)C(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19NO4/c1-7(2)8(3)10(14)11-4-5-15-6-9(12)13/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeySCZQIRLEGSMINV-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-[(2-amino-4-methoxybutanoyl)amino]ethoxy]acetic acid
CID 79456586
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
CID 79463856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid (CID 79456707) is 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid is CC(C)C(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid?
The InChIKey is SCZQIRLEGSMINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)8(3)10(14)11-4-5-15-6-9(12)13/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid?
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79456707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).