2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid

C15H23NO3 — CID 3935984

IUPAC2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
SMILESCCC(C)(C)c1ccc(OC)c(CC(N)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-15(2,3)11-6-7-13(19-4)10(8-11)9-12(16)14(17)18/h6-8,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyYIRFVRMSBAWMNH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid

2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid (PubChem CID 3935984) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
PubChem CID3935984
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
SMILESCCC(C)(C)c1ccc(OC)c(CC(N)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-15(2,3)11-6-7-13(19-4)10(8-11)9-12(16)14(17)18/h6-8,12H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyYIRFVRMSBAWMNH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 117383995
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
CID 170890567
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 117398962
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid (CID 3935984) is 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid is CCC(C)(C)c1ccc(OC)c(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid?
The InChIKey is YIRFVRMSBAWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-15(2,3)11-6-7-13(19-4)10(8-11)9-12(16)14(17)18/h6-8,12H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid?
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 3935984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).