2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid

C14H29NO4 — CID 118213906

IUPAC2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid
SMILESCCCC[C@H](C)CN(C)CCOCCOCC(=O)O
InChIInChI=1S/C14H29NO4/c1-4-5-6-13(2)11-15(3)7-8-18-9-10-19-12-14(16)17/h13H,4-12H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyOELPJCLBGGRQAL-ZDUSSCGKSA-N
MW275.39 g/mol
LogP1.86
Rot. Bonds13

About 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid

2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid (PubChem CID 118213906) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid
PubChem CID118213906
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid
SMILESCCCC[C@H](C)CN(C)CCOCCOCC(=O)O
InChIInChI=1S/C14H29NO4/c1-4-5-6-13(2)11-15(3)7-8-18-9-10-19-12-14(16)17/h13H,4-12H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyOELPJCLBGGRQAL-ZDUSSCGKSA-N
XLogP1.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid (CID 118213906) is 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid is CCCC[C@H](C)CN(C)CCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid?
The InChIKey is OELPJCLBGGRQAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO4/c1-4-5-6-13(2)11-15(3)7-8-18-9-10-19-12-14(16)17/h13H,4-12H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid?
2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 1.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 118213906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).