2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid

C14H29NO5 — CID 106487235

IUPAC2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(CN)C(=O)O
InChIInChI=1S/C14H29NO5/c1-3-4-6-18-8-10-20-11-9-19-7-5-14(2,12-15)13(16)17/h3-12,15H2,1-2H3,(H,16,17)
InChIKeyCTOWSTCWDSPNGZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.28
Rot. Bonds14

About 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid

2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid (PubChem CID 106487235) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
PubChem CID106487235
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(CN)C(=O)O
InChIInChI=1S/C14H29NO5/c1-3-4-6-18-8-10-20-11-9-19-7-5-14(2,12-15)13(16)17/h3-12,15H2,1-2H3,(H,16,17)
InChIKeyCTOWSTCWDSPNGZ-UHFFFAOYSA-N
XLogP1.28
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
CID 106487837
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
acetic acid;1-butoxybutane
CID 22256220
2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid (CID 106487235) is 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid is CCCCOCCOCCOCCC(C)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid?
The InChIKey is CTOWSTCWDSPNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-3-4-6-18-8-10-20-11-9-19-7-5-14(2,12-15)13(16)17/h3-12,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid?
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.28, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid is sourced from PubChem (CID 106487235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).