2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid

C15H21NO4 — CID 120686583

IUPAC2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
SMILESCCC(C(=O)N(C)C(C)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-5-13(11-6-8-12(20-4)9-7-11)14(17)16(3)10(2)15(18)19/h6-10,13H,5H2,1-4H3,(H,18,19)
InChIKeyBUZDTWYTFIUICL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.12
Rot. Bonds6

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

2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid (PubChem CID 120686583) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
PubChem CID120686583
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
SMILESCCC(C(=O)N(C)C(C)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-5-13(11-6-8-12(20-4)9-7-11)14(17)16(3)10(2)15(18)19/h6-10,13H,5H2,1-4H3,(H,18,19)
InChIKeyBUZDTWYTFIUICL-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120688282
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid (CID 120686583) is 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid is CCC(C(=O)N(C)C(C)C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The InChIKey is BUZDTWYTFIUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-13(11-6-8-12(20-4)9-7-11)14(17)16(3)10(2)15(18)19/h6-10,13H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid is sourced from PubChem (CID 120686583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).