4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid

C14H18ClNO3 — CID 117456098

IUPAC4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C14H18ClNO3/c15-9-4-6-13(19-10-2-1-3-10)11(8-9)12(16)5-7-14(17)18/h4,6,8,10,12H,1-3,5,7,16H2,(H,17,18)
InChIKeyWPLGCEMIDAWFGL-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.14
Rot. Bonds6

About 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid

4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid (PubChem CID 117456098) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
PubChem CID117456098
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C14H18ClNO3/c15-9-4-6-13(19-10-2-1-3-10)11(8-9)12(16)5-7-14(17)18/h4,6,8,10,12H,1-3,5,7,16H2,(H,17,18)
InChIKeyWPLGCEMIDAWFGL-UHFFFAOYSA-N
XLogP3.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
CID 117412986
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
4-amino-4-(2-cyclopentyloxy-6-methylphenyl)butanoic acid
CID 117444524
4-amino-4-[2-(1,1-dioxothietan-3-yl)oxyphenyl]butanoic acid
CID 117482244
5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
3-amino-3-(5-bromo-2-cyclopropyloxyphenyl)propanoic acid
CID 117483188
2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid (CID 117456098) is 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid is NC(CCC(=O)O)c1cc(Cl)ccc1OC1CCC1.
What is the InChIKey of 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid?
The InChIKey is WPLGCEMIDAWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-9-4-6-13(19-10-2-1-3-10)11(8-9)12(16)5-7-14(17)18/h4,6,8,10,12H,1-3,5,7,16H2,(H,17,18).
What are the key properties of 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid?
4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid has a molecular weight of 283.75 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid is sourced from PubChem (CID 117456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).