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

C14H19NO4 — CID 110835538

IUPAC3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
SMILESCOc1ccc(CCC(=O)NCCC(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-10-9-11(3-5-12(10)19-2)4-6-13(16)15-8-7-14(17)18/h3,5,9H,4,6-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPVVCZHLPMDTSAE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds7

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

3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid (PubChem CID 110835538) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
PubChem CID110835538
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
SMILESCOc1ccc(CCC(=O)NCCC(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-10-9-11(3-5-12(10)19-2)4-6-13(16)15-8-7-14(17)18/h3,5,9H,4,6-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPVVCZHLPMDTSAE-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-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100542510
4-[3-(4-bromo-3-methylphenyl)propanoylamino]butanoic acid
CID 167842148
3-[3-(2-methoxy-4-methylphenyl)propanoylamino]propanoic acid
CID 110835616
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid (CID 110835538) is 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid is COc1ccc(CCC(=O)NCCC(=O)O)cc1C.
What is the InChIKey of 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid?
The InChIKey is PVVCZHLPMDTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-9-11(3-5-12(10)19-2)4-6-13(16)15-8-7-14(17)18/h3,5,9H,4,6-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid?
3-[3-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 110835538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).