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

C13H19NO3 — CID 82291919

IUPAC3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid
SMILESCCc1cc(C(C)(N)CC(=O)O)ccc1OC
InChIInChI=1S/C13H19NO3/c1-4-9-7-10(5-6-11(9)17-3)13(2,14)8-12(15)16/h5-7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyPDHJETCLSJEDJX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds5

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

3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid (PubChem CID 82291919) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid
PubChem CID82291919
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid
SMILESCCc1cc(C(C)(N)CC(=O)O)ccc1OC
InChIInChI=1S/C13H19NO3/c1-4-9-7-10(5-6-11(9)17-3)13(2,14)8-12(15)16/h5-7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyPDHJETCLSJEDJX-UHFFFAOYSA-N
XLogP1.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934
4-(3-ethyl-4-methoxyphenyl)-3,3-dimethyl-4-oxobutanoic acid
CID 116918358
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
3-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
CID 82297847
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704416
3-(3,4-dimethoxyphenyl)-3-methyl-4-oxopentanoic acid
CID 59956314
(3S)-3-amino-3-(4-butoxyphenyl)butanoic acid
CID 2054301

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid?
The IUPAC name of 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid (CID 82291919) is 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid is CCc1cc(C(C)(N)CC(=O)O)ccc1OC.
What is the InChIKey of 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid?
The InChIKey is PDHJETCLSJEDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9-7-10(5-6-11(9)17-3)13(2,14)8-12(15)16/h5-7H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid?
3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82291919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).