3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid

C14H19NO4 — CID 110835616

IUPAC3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid
SMILESCOc1cc(C)ccc1CCC(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(12(9-10)19-2)5-6-13(16)15-8-7-14(17)18/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGTUWRJBNLXQISW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds7

About 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid

3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid (PubChem CID 110835616) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid
PubChem CID110835616
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid
SMILESCOc1cc(C)ccc1CCC(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(12(9-10)19-2)5-6-13(16)15-8-7-14(17)18/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGTUWRJBNLXQISW-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
4-[2-[2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20987534
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
4-[(2-methoxy-5-methylphenyl)methylamino]butanoic acid
CID 43473831
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid (CID 110835616) is 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid is COc1cc(C)ccc1CCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid?
The InChIKey is GTUWRJBNLXQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-3-4-11(12(9-10)19-2)5-6-13(16)15-8-7-14(17)18/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid?
3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 110835616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).