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

C13H19NO3 — CID 62961520

IUPAC4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(CC(N)CCC(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-10(3-5-12(9)17-2)8-11(14)4-6-13(15)16/h3,5,7,11H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyVTIHXTCSBBYTDI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds6

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

4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid (PubChem CID 62961520) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
PubChem CID62961520
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(CC(N)CCC(=O)O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-10(3-5-12(9)17-2)8-11(14)4-6-13(15)16/h3,5,7,11H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyVTIHXTCSBBYTDI-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-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
3-amino-4-[2-(4-methoxy-3-methylphenyl)ethylamino]butanoic acid
CID 115241806
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
4-amino-4-(3,6-dimethoxy-2-methylphenyl)butanoic acid
CID 117385782
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
CID 66644797
methyl 4-amino-5-(3-fluoro-4-methylphenyl)pentanoate
CID 63644528
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The IUPAC name of 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid (CID 62961520) is 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid is COc1ccc(CC(N)CCC(=O)O)cc1C.
What is the InChIKey of 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The InChIKey is VTIHXTCSBBYTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-10(3-5-12(9)17-2)8-11(14)4-6-13(15)16/h3,5,7,11H,4,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid?
4-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 4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid is sourced from PubChem (CID 62961520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).