2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid

C17H25NO4 — CID 120686453

IUPAC2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC(CC)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-4-10-18(12-17(20)21)16(19)11-13(5-2)14-6-8-15(22-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyDLEMRZJGWQOBKN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.90
Rot. Bonds9

About 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid

2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid (PubChem CID 120686453) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
PubChem CID120686453
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC(CC)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-4-10-18(12-17(20)21)16(19)11-13(5-2)14-6-8-15(22-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyDLEMRZJGWQOBKN-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
N',N'-bis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
CID 53437182
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120688282
2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
CID 119204807
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
CID 119189812
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid (CID 120686453) is 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CC(CC)c1ccc(OC)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid?
The InChIKey is DLEMRZJGWQOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-10-18(12-17(20)21)16(19)11-13(5-2)14-6-8-15(22-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid?
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid is sourced from PubChem (CID 120686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).