3-(2-butoxyethylamino)-2-methylpropanoic acid

C10H21NO3 — CID 61171284

IUPAC3-(2-butoxyethylamino)-2-methylpropanoic acid
SMILESCCCCOCCNCC(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-6-14-7-5-11-8-9(2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyNEAPHSUIBBWZIY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.11
Rot. Bonds9

About 3-(2-butoxyethylamino)-2-methylpropanoic acid

3-(2-butoxyethylamino)-2-methylpropanoic acid (PubChem CID 61171284) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(2-butoxyethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-butoxyethylamino)-2-methylpropanoic acid
PubChem CID61171284
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(2-butoxyethylamino)-2-methylpropanoic acid
SMILESCCCCOCCNCC(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-4-6-14-7-5-11-8-9(2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyNEAPHSUIBBWZIY-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.11
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

3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
2-(2-butoxyethylamino)butanoic acid
CID 64667576
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-(2-butoxyethylamino)acetic acid
CID 61170119
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
3-(butoxycarbonylamino)-2-methylpropanoic acid
CID 87548601
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
decyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551178

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-butoxyethylamino)-2-methylpropanoic acid (CID 61171284) is 3-(2-butoxyethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-butoxyethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-butoxyethylamino)-2-methylpropanoic acid is CCCCOCCNCC(C)C(=O)O.
What is the InChIKey of 3-(2-butoxyethylamino)-2-methylpropanoic acid?
The InChIKey is NEAPHSUIBBWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-6-14-7-5-11-8-9(2)10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-butoxyethylamino)-2-methylpropanoic acid?
3-(2-butoxyethylamino)-2-methylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61171284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).