5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid

C13H19NO3 — CID 117049749

IUPAC5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
SMILESCOc1cccc(C(C)(CCCN)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-13(12(15)16,7-4-8-14)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyLZHSWRBXEHSWHZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds6

About 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid

5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid (PubChem CID 117049749) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
PubChem CID117049749
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
SMILESCOc1cccc(C(C)(CCCN)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-13(12(15)16,7-4-8-14)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyLZHSWRBXEHSWHZ-UHFFFAOYSA-N
XLogP1.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861
2-ethylsulfanyl-2-(3-methoxyphenyl)propanoic acid
CID 114994834
(2S)-2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393509
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid?
The IUPAC name of 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid (CID 117049749) is 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid.
What is the SMILES notation for 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid?
The canonical SMILES for 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid is COc1cccc(C(C)(CCCN)C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid?
The InChIKey is LZHSWRBXEHSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(12(15)16,7-4-8-14)10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid?
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid is sourced from PubChem (CID 117049749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).