2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid

C13H19NO3 — CID 112518246

IUPAC2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(N)C(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)4-3-5-11(14)13(15)16/h6-8,11H,3-5,14H2,1-2H3,(H,15,16)
InChIKeySZWJRXZCFZKAOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds6

About 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid

2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid (PubChem CID 112518246) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
PubChem CID112518246
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(N)C(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)4-3-5-11(14)13(15)16/h6-8,11H,3-5,14H2,1-2H3,(H,15,16)
InChIKeySZWJRXZCFZKAOS-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 62961520
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
3-amino-4-[2-(4-methoxy-3-methylphenyl)ethylamino]butanoic acid
CID 115241806
(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid (CID 112518246) is 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid is COc1ccc(CCCC(N)C(=O)O)cc1C.
What is the InChIKey of 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The InChIKey is SZWJRXZCFZKAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)4-3-5-11(14)13(15)16/h6-8,11H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid is sourced from PubChem (CID 112518246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).