2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid

C13H19NO4 — CID 115005508

IUPAC2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(N)C(=O)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-17-11-7-6-9(8-12(11)18-2)4-3-5-10(14)13(15)16/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyQNSOMFVJNNRDLC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.44
Rot. Bonds7

About 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid

2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid (PubChem CID 115005508) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
PubChem CID115005508
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(N)C(=O)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-17-11-7-6-9(8-12(11)18-2)4-3-5-10(14)13(15)16/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyQNSOMFVJNNRDLC-UHFFFAOYSA-N
XLogP1.44
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
2-amino-3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
CID 64583436
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid (CID 115005508) is 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid is COc1ccc(CCCC(N)C(=O)O)cc1OC.
What is the InChIKey of 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid?
The InChIKey is QNSOMFVJNNRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-11-7-6-9(8-12(11)18-2)4-3-5-10(14)13(15)16/h6-8,10H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid?
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid is sourced from PubChem (CID 115005508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).