2-(8-amino-4-tert-butyloctoxy)acetic acid

C14H29NO3 — CID 138695664

IUPAC2-(8-amino-4-tert-butyloctoxy)acetic acid
SMILESCC(C)(C)C(CCCCN)CCCOCC(=O)O
InChIInChI=1S/C14H29NO3/c1-14(2,3)12(7-4-5-9-15)8-6-10-18-11-13(16)17/h12H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyVGSNDJIEDKGONO-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.66
Rot. Bonds10

About 2-(8-amino-4-tert-butyloctoxy)acetic acid

2-(8-amino-4-tert-butyloctoxy)acetic acid (PubChem CID 138695664) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(8-amino-4-tert-butyloctoxy)acetic acid.

Molecular Properties

Compound Name2-(8-amino-4-tert-butyloctoxy)acetic acid
PubChem CID138695664
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-(8-amino-4-tert-butyloctoxy)acetic acid
SMILESCC(C)(C)C(CCCCN)CCCOCC(=O)O
InChIInChI=1S/C14H29NO3/c1-14(2,3)12(7-4-5-9-15)8-6-10-18-11-13(16)17/h12H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyVGSNDJIEDKGONO-UHFFFAOYSA-N
XLogP2.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.66
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

6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-(3-chloropropoxy)acetic acid
CID 19745372
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
5-amino-2-tert-butylpentan-1-ol
CID 59516739
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
4-tert-butylundecanoic acid
CID 175010843
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
4-tert-butyldodec-11-ynyl carbamate
CID 170982919

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-4-tert-butyloctoxy)acetic acid?
The IUPAC name of 2-(8-amino-4-tert-butyloctoxy)acetic acid (CID 138695664) is 2-(8-amino-4-tert-butyloctoxy)acetic acid.
What is the SMILES notation for 2-(8-amino-4-tert-butyloctoxy)acetic acid?
The canonical SMILES for 2-(8-amino-4-tert-butyloctoxy)acetic acid is CC(C)(C)C(CCCCN)CCCOCC(=O)O.
What is the InChIKey of 2-(8-amino-4-tert-butyloctoxy)acetic acid?
The InChIKey is VGSNDJIEDKGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-14(2,3)12(7-4-5-9-15)8-6-10-18-11-13(16)17/h12H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(8-amino-4-tert-butyloctoxy)acetic acid?
2-(8-amino-4-tert-butyloctoxy)acetic acid has a molecular weight of 259.39 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-4-tert-butyloctoxy)acetic acid is sourced from PubChem (CID 138695664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).