5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid

C14H19NO4 — CID 4629663

IUPAC5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-19-12-7-5-11(6-8-12)9-10-15-13(16)3-2-4-14(17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyPWSVCHKDYDKQPD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds8

About 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid

5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 4629663) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID4629663
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-19-12-7-5-11(6-8-12)9-10-15-13(16)3-2-4-14(17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyPWSVCHKDYDKQPD-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid (CID 4629663) is 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid is COc1ccc(CCNC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is PWSVCHKDYDKQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-12-7-5-11(6-8-12)9-10-15-13(16)3-2-4-14(17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 4629663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).