3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid

C15H21NO5 — CID 82325734

IUPAC3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
SMILESCOCC(=O)N(Cc1ccc(OC)cc1)CC(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-11(15(18)19)8-16(14(17)10-20-2)9-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyHTJUDUSTKTWBRC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.39
Rot. Bonds8

About 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid

3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid (PubChem CID 82325734) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
PubChem CID82325734
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
SMILESCOCC(=O)N(Cc1ccc(OC)cc1)CC(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-11(15(18)19)8-16(14(17)10-20-2)9-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyHTJUDUSTKTWBRC-UHFFFAOYSA-N
XLogP1.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
2-methyl-3-[(4-methylphenyl)methyl-propanoylamino]propanoic acid
CID 82323323
3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
3-[(4-methoxyphenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 82330080
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 102159049
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-2-aminopropanoic acid
CID 163638856
2-methyl-3-[(4-methylphenyl)methyl-pentanoylamino]propanoic acid
CID 82323566
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid (CID 82325734) is 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid is COCC(=O)N(Cc1ccc(OC)cc1)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is HTJUDUSTKTWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(15(18)19)8-16(14(17)10-20-2)9-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid?
3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).