2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid

C15H21NO5 — CID 92924035

IUPAC2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
SMILESCCCOc1ccc(CCC(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-3-8-21-12-6-4-11(9-13(12)20-2)5-7-14(17)16-10-15(18)19/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCQTMGLNAPVVMNU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.62
Rot. Bonds9

About 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid

2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid (PubChem CID 92924035) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
PubChem CID92924035
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
SMILESCCCOc1ccc(CCC(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-3-8-21-12-6-4-11(9-13(12)20-2)5-7-14(17)16-10-15(18)19/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCQTMGLNAPVVMNU-UHFFFAOYSA-N
XLogP1.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
CID 142980585
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-(4-hydroxy-3-methoxyphenyl)propanoic acid;propyl 3-(3-methoxy-4-propoxyphenyl)propanoate
CID 161403308
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid (CID 92924035) is 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid is CCCOc1ccc(CCC(=O)NCC(=O)O)cc1OC.
What is the InChIKey of 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid?
The InChIKey is CQTMGLNAPVVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-8-21-12-6-4-11(9-13(12)20-2)5-7-14(17)16-10-15(18)19/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid?
2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 92924035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).