2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid

C12H23NO5 — CID 165351114

IUPAC2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
SMILESCCCC(C)C(=O)NCCOCCOCC(=O)O
InChIInChI=1S/C12H23NO5/c1-3-4-10(2)12(16)13-5-6-17-7-8-18-9-11(14)15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRHBVFLWTUKNDAT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds11

About 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid

2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid (PubChem CID 165351114) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
PubChem CID165351114
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
SMILESCCCC(C)C(=O)NCCOCCOCC(=O)O
InChIInChI=1S/C12H23NO5/c1-3-4-10(2)12(16)13-5-6-17-7-8-18-9-11(14)15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRHBVFLWTUKNDAT-UHFFFAOYSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
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-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 170008061
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
3-[2-[2-[2-[2-[2-[2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170596914
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid (CID 165351114) is 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid is CCCC(C)C(=O)NCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid?
The InChIKey is RHBVFLWTUKNDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-3-4-10(2)12(16)13-5-6-17-7-8-18-9-11(14)15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid?
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 0.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 165351114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).