3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid

C13H17NO3 — CID 117243215

IUPAC3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H17NO3/c15-11-6-1-3-9(7-11)12(13(16)17)8-14-10-4-2-5-10/h1,3,6-7,10,12,14-15H,2,4-5,8H2,(H,16,17)
InChIKeyRNFMPBLRLVJLBR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.70
Rot. Bonds5

About 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid

3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 117243215) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
PubChem CID117243215
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1cccc(O)c1
InChIInChI=1S/C13H17NO3/c15-11-6-1-3-9(7-11)12(13(16)17)8-14-10-4-2-5-10/h1,3,6-7,10,12,14-15H,2,4-5,8H2,(H,16,17)
InChIKeyRNFMPBLRLVJLBR-UHFFFAOYSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117242834
3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
CID 117244167
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
methyl 3-(cyclobutylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 117243206
2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
CID 117240781
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
CID 91038592

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid (CID 117243215) is 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid is O=C(O)C(CNC1CCC1)c1cccc(O)c1.
What is the InChIKey of 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is RNFMPBLRLVJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-6-1-3-9(7-11)12(13(16)17)8-14-10-4-2-5-10/h1,3,6-7,10,12,14-15H,2,4-5,8H2,(H,16,17).
What are the key properties of 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid?
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117243215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).