3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid

C15H21NO4 — CID 61008101

IUPAC3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-16(8-7-15(18)19)14(17)10-12-6-5-11(2)13(9-12)20-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyZQCDVRXXXVBOET-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds7

About 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid

3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 61008101) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
PubChem CID61008101
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-16(8-7-15(18)19)14(17)10-12-6-5-11(2)13(9-12)20-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyZQCDVRXXXVBOET-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid (CID 61008101) is 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cc1ccc(C)c(OC)c1.
What is the InChIKey of 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is ZQCDVRXXXVBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-16(8-7-15(18)19)14(17)10-12-6-5-11(2)13(9-12)20-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61008101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).