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

C15H21NO4 — CID 119208828

IUPAC2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
SMILESCOc1ccc(CCCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-11(15(18)19)16(2)14(17)6-4-5-12-7-9-13(20-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyIGPGOHOWDMEWBI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds7

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

2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid (PubChem CID 119208828) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
PubChem CID119208828
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
SMILESCOc1ccc(CCCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-11(15(18)19)16(2)14(17)6-4-5-12-7-9-13(20-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyIGPGOHOWDMEWBI-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
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-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
2-[4-(3,4-dimethylphenoxy)butanoyl-methylamino]propanoic acid
CID 119358257
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid (CID 119208828) is 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid is COc1ccc(CCCC(=O)N(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
The InChIKey is IGPGOHOWDMEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(15(18)19)16(2)14(17)6-4-5-12-7-9-13(20-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid?
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.95, 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)butanoyl-methylamino]propanoic acid is sourced from PubChem (CID 119208828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).