2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid

C12H24N2O5 — CID 79463945

IUPAC2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(C)CCOCCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(2)3-6-18-7-4-13-12(17)14-5-8-19-9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyQZIBDWKGCVOSNX-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.45
Rot. Bonds11

About 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid

2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79463945) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
PubChem CID79463945
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(C)CCOCCNC(=O)NCCOCC(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(2)3-6-18-7-4-13-12(17)14-5-8-19-9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyQZIBDWKGCVOSNX-UHFFFAOYSA-N
XLogP0.45
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
CID 79463856
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid (CID 79463945) is 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid is CC(C)CCOCCNC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is QZIBDWKGCVOSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-10(2)3-6-18-7-4-13-12(17)14-5-8-19-9-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid?
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 276.33 g/mol, XLogP of 0.45, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).