5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid

C16H19NO8 — CID 25161267

IUPAC5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C(=O)NC(CC(=O)O)CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C16H19NO8/c1-24-16(23)15(22)17-11(8-13(19)20)9-14(21)25-7-6-10-2-4-12(18)5-3-10/h2-5,11,18H,6-9H2,1H3,(H,17,22)(H,19,20)
InChIKeyQZTUFHQINKEEEJ-UHFFFAOYSA-N
MW353.33 g/mol
LogP0.00
Rot. Bonds8

About 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid

5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid (PubChem CID 25161267) has the molecular formula C16H19NO8 and a molecular weight of 353.33 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid
PubChem CID25161267
Molecular FormulaC16H19NO8
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)C(=O)NC(CC(=O)O)CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C16H19NO8/c1-24-16(23)15(22)17-11(8-13(19)20)9-14(21)25-7-6-10-2-4-12(18)5-3-10/h2-5,11,18H,6-9H2,1H3,(H,17,22)(H,19,20)
InChIKeyQZTUFHQINKEEEJ-UHFFFAOYSA-N
XLogP0.00
TPSA139.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-O-benzyl 1-O-[2-(4-hydroxyphenyl)ethyl] 3-[(2-methoxy-2-oxoacetyl)amino]pentanedioate
CID 25161265
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(methoxymethyl)hex-4-enoate
CID 171349750
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
2-(4-hydroxyphenyl)ethyl (E,3S)-3-ethyl-4-formylhex-4-enoate
CID 58114286
2-(4-hydroxyphenyl)ethyl 4-formyl-3-(2-oxoethyl)hex-4-enoate
CID 73042908
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid (CID 25161267) is 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid is COC(=O)C(=O)NC(CC(=O)O)CC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid?
The InChIKey is QZTUFHQINKEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO8/c1-24-16(23)15(22)17-11(8-13(19)20)9-14(21)25-7-6-10-2-4-12(18)5-3-10/h2-5,11,18H,6-9H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid?
5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid has a molecular weight of 353.33 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 25161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).