2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid

C15H21NO5 — CID 61013285

IUPAC2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-3-9-16(11-15(18)19)14(17)8-10-21-13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyJUQIQUYXEMQNEP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.79
Rot. Bonds9

About 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid

2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid (PubChem CID 61013285) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
PubChem CID61013285
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H21NO5/c1-3-9-16(11-15(18)19)14(17)8-10-21-13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyJUQIQUYXEMQNEP-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 82354393
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid?
The IUPAC name of 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid (CID 61013285) is 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CCOc1ccc(OC)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid?
The InChIKey is JUQIQUYXEMQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-9-16(11-15(18)19)14(17)8-10-21-13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid?
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid is sourced from PubChem (CID 61013285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).