4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid

C15H23NO3 — CID 116938153

IUPAC4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1ccc(C(N)C(C)CC(=O)O)cc1C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-11(5-6-13(12)19-4)15(16)10(3)7-14(17)18/h5-6,8-10,15H,7,16H2,1-4H3,(H,17,18)
InChIKeyDIXFYBRLQVNBTE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid

4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 116938153) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID116938153
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCOc1ccc(C(N)C(C)CC(=O)O)cc1C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-11(5-6-13(12)19-4)15(16)10(3)7-14(17)18/h5-6,8-10,15H,7,16H2,1-4H3,(H,17,18)
InChIKeyDIXFYBRLQVNBTE-UHFFFAOYSA-N
XLogP2.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
4-amino-4-(3-chloro-4-fluorophenyl)-3-methylbutanoic acid
CID 116938196
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-amino-4-(2-methoxy-5-propan-2-ylphenyl)-4-oxobutanoic acid
CID 82349179
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486
3,4-diamino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 116942774

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid (CID 116938153) is 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid is COc1ccc(C(N)C(C)CC(=O)O)cc1C(C)C.
What is the InChIKey of 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is DIXFYBRLQVNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)12-8-11(5-6-13(12)19-4)15(16)10(3)7-14(17)18/h5-6,8-10,15H,7,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid?
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 116938153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).