3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid

C13H23NO3 — CID 106204568

IUPAC3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCC(COCCC1CCC1)(NC1CC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(12(15)16,14-11-5-6-11)9-17-8-7-10-3-2-4-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyBNHKARILPIYMOC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds8

About 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid

3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid (PubChem CID 106204568) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
PubChem CID106204568
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
SMILESCC(COCCC1CCC1)(NC1CC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-13(12(15)16,14-11-5-6-11)9-17-8-7-10-3-2-4-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyBNHKARILPIYMOC-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
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

4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
3-(cyclopentylmethoxy)-2-methyl-2-(methylamino)propanoic acid
CID 66324387
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylbutanoic acid
CID 63120175
2-amino-4-(2-cyclopropylethoxy)-2-methylbutanoic acid
CID 106204271
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid (CID 106204568) is 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid is CC(COCCC1CCC1)(NC1CC1)C(=O)O.
What is the InChIKey of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
The InChIKey is BNHKARILPIYMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(12(15)16,14-11-5-6-11)9-17-8-7-10-3-2-4-10/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid?
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 106204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).