4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid

C11H15NO4 — CID 165346911

IUPAC4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(C(N)CCC(=O)O)ccc1O
InChIInChI=1S/C11H15NO4/c1-16-10-6-7(2-4-9(10)13)8(12)3-5-11(14)15/h2,4,6,8,13H,3,5,12H2,1H3,(H,14,15)
InChIKeyICSSNRSOUCRXFP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.27
Rot. Bonds5

About 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid

4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid (PubChem CID 165346911) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
PubChem CID165346911
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
SMILESCOc1cc(C(N)CCC(=O)O)ccc1O
InChIInChI=1S/C11H15NO4/c1-16-10-6-7(2-4-9(10)13)8(12)3-5-11(14)15/h2,4,6,8,13H,3,5,12H2,1H3,(H,14,15)
InChIKeyICSSNRSOUCRXFP-UHFFFAOYSA-N
XLogP1.27
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(4-cyclopropyl-3-methoxyphenyl)butanoic acid
CID 117376411
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
4-amino-4-[4-(difluoromethyl)-2-methoxyphenyl]butanoic acid
CID 117401237
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-amino-4-(3-fluoro-5-methoxy-4-methylphenyl)butanoic acid
CID 115006091
4-amino-4-(2-chloro-4-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403332
4-amino-4-(3-ethoxy-5-hydroxy-4-methoxyphenyl)butanoic acid
CID 117426318

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid (CID 165346911) is 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid is COc1cc(C(N)CCC(=O)O)ccc1O.
What is the InChIKey of 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid?
The InChIKey is ICSSNRSOUCRXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-10-6-7(2-4-9(10)13)8(12)3-5-11(14)15/h2,4,6,8,13H,3,5,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid?
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid is sourced from PubChem (CID 165346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).