2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid

C15H23NO3 — CID 65059878

IUPAC2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
SMILESCOc1ccc(CCC(C)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(16(3)12(2)15(17)18)5-6-13-7-9-14(19-4)10-8-13/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyCGZNJPISJWTSNE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid

2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid (PubChem CID 65059878) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
PubChem CID65059878
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
SMILESCOc1ccc(CCC(C)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(16(3)12(2)15(17)18)5-6-13-7-9-14(19-4)10-8-13/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyCGZNJPISJWTSNE-UHFFFAOYSA-N
XLogP2.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid (CID 65059878) is 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid is COc1ccc(CCC(C)N(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid?
The InChIKey is CGZNJPISJWTSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16(3)12(2)15(17)18)5-6-13-7-9-14(19-4)10-8-13/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid?
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid is sourced from PubChem (CID 65059878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).