3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid

C14H19NO4 — CID 60989775

IUPAC3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
SMILESCOc1cccc(CCC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-15(9-8-14(17)18)13(16)7-6-11-4-3-5-12(10-11)19-2/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyUZQFMMROMOOAHX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds7

About 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid

3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid (PubChem CID 60989775) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
PubChem CID60989775
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
SMILESCOc1cccc(CCC(=O)N(C)CCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-15(9-8-14(17)18)13(16)7-6-11-4-3-5-12(10-11)19-2/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyUZQFMMROMOOAHX-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic 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-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
3-[ethyl-[3-(3-methoxyphenyl)propanoyl]amino]butanoic acid
CID 62827595
3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61417820

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid?
The IUPAC name of 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid (CID 60989775) is 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid is COc1cccc(CCC(=O)N(C)CCC(=O)O)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid?
The InChIKey is UZQFMMROMOOAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(9-8-14(17)18)13(16)7-6-11-4-3-5-12(10-11)19-2/h3-5,10H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid?
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid is sourced from PubChem (CID 60989775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).