3-[tert-butyl(2-propoxyethyl)amino]propanoic acid

C12H25NO3 — CID 106454620

IUPAC3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
SMILESCCCOCCN(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-9-16-10-8-13(12(2,3)4)7-6-11(14)15/h5-10H2,1-4H3,(H,14,15)
InChIKeyTZIOZJAKNIRIRX-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.99
Rot. Bonds8

About 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid

3-[tert-butyl(2-propoxyethyl)amino]propanoic acid (PubChem CID 106454620) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
PubChem CID106454620
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
SMILESCCCOCCN(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-5-9-16-10-8-13(12(2,3)4)7-6-11(14)15/h5-10H2,1-4H3,(H,14,15)
InChIKeyTZIOZJAKNIRIRX-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl(2-propoxyethyl)carbamic acid
CID 87579706
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CID 79269476
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
3-[tert-butyl-[2-(3,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 60833997
3-[tert-butyl(2-methylsulfonylethyl)amino]propanoic acid
CID 60915688
3-[tert-butyl-[2-(4-cyanophenoxy)ethyl]amino]propanoic acid
CID 60833201
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
3-[tert-butyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]propanoic acid
CID 54926050
3-[2-[2-[2-(2-propoxyethoxy)ethylamino]ethylamino]ethylsulfanyl]propanoic acid
CID 156761918
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid (CID 106454620) is 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid is CCCOCCN(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid?
The InChIKey is TZIOZJAKNIRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-9-16-10-8-13(12(2,3)4)7-6-11(14)15/h5-10H2,1-4H3,(H,14,15).
What are the key properties of 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid?
3-[tert-butyl(2-propoxyethyl)amino]propanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(2-propoxyethyl)amino]propanoic acid is sourced from PubChem (CID 106454620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).