4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid

C15H21NO3 — CID 117412986

IUPAC4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
SMILESCc1ccc(OC2CCC2)c(C(N)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-5-7-14(19-11-3-2-4-11)12(9-10)13(16)6-8-15(17)18/h5,7,9,11,13H,2-4,6,8,16H2,1H3,(H,17,18)
InChIKeyQEUSALUGEZKNLG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.79
Rot. Bonds6

About 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid

4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid (PubChem CID 117412986) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
PubChem CID117412986
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
SMILESCc1ccc(OC2CCC2)c(C(N)CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-10-5-7-14(19-11-3-2-4-11)12(9-10)13(16)6-8-15(17)18/h5,7,9,11,13H,2-4,6,8,16H2,1H3,(H,17,18)
InChIKeyQEUSALUGEZKNLG-UHFFFAOYSA-N
XLogP2.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
CID 117456098
4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
CID 117444524
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
3-amino-3-(5-bromo-2-cyclopropyloxyphenyl)propanoic acid
CID 117483188
4-amino-4-[2-(1,1-dioxothietan-3-yl)oxyphenyl]butanoic acid
CID 117482244
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
CID 82348234
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-amino-4-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
CID 117412985
3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid (CID 117412986) is 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid is Cc1ccc(OC2CCC2)c(C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid?
The InChIKey is QEUSALUGEZKNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-5-7-14(19-11-3-2-4-11)12(9-10)13(16)6-8-15(17)18/h5,7,9,11,13H,2-4,6,8,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid?
4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid is sourced from PubChem (CID 117412986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).