2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid

C14H21NO3 — CID 115005494

IUPAC2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
SMILESCCc1ccc(OC)c(CCCC(N)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-3-10-7-8-13(18-2)11(9-10)5-4-6-12(15)14(16)17/h7-9,12H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyOYVWCTHKWPUMEF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid

2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid (PubChem CID 115005494) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
PubChem CID115005494
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
SMILESCCc1ccc(OC)c(CCCC(N)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-3-10-7-8-13(18-2)11(9-10)5-4-6-12(15)14(16)17/h7-9,12H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyOYVWCTHKWPUMEF-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid (CID 115005494) is 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid is CCc1ccc(OC)c(CCCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid?
The InChIKey is OYVWCTHKWPUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-10-7-8-13(18-2)11(9-10)5-4-6-12(15)14(16)17/h7-9,12H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid?
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 115005494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).