(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid

C11H18O5 — CID 58249232

IUPAC(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid
SMILESCCOCC(=O)CC(CCC(C)=O)C(=O)O
InChIInChI=1S/C11H18O5/c1-3-16-7-10(13)6-9(11(14)15)5-4-8(2)12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyJMDQFALEWZDVLQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.05
Rot. Bonds9

About (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid

(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid (PubChem CID 58249232) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid
PubChem CID58249232
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid
SMILESCCOCC(=O)CC(CCC(C)=O)C(=O)O
InChIInChI=1S/C11H18O5/c1-3-16-7-10(13)6-9(11(14)15)5-4-8(2)12/h9H,3-7H2,1-2H3,(H,14,15)
InChIKeyJMDQFALEWZDVLQ-UHFFFAOYSA-N
XLogP1.05
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-oxobutyl)butanedioic acid
CID 88997259
(2R)-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-5-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]-4-oxopentanoic acid
CID 157415749
(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid
CID 160569275
2-(2-ethoxyethyl)-4-oxopentanoic acid
CID 57157218
(2R)-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-5-[2-[2-(methylamino)ethoxy]ethoxy]-4-oxopentanoic acid
CID 159320628
16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 58238722
(2R)-2-[6-(2-ethoxyethoxy)-3-oxohexyl]-4-oxohenicosanedioic acid
CID 158277924
(2R,7S)-7-acetamido-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-4-oxooctanedioic acid
CID 158843052
5-amino-1-ethoxyhexan-2-one
CID 116571563
21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 159521370
tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide
CID 165048113
2-[3-[(1-carboxy-4-oxopentyl)amino]-3-oxopropyl]-4-oxotricosanedioic acid
CID 164977488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid?
The IUPAC name of (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid (CID 58249232) is (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid.
What is the SMILES notation for (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid?
The canonical SMILES for (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid is CCOCC(=O)CC(CCC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid?
The InChIKey is JMDQFALEWZDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-16-7-10(13)6-9(11(14)15)5-4-8(2)12/h9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid?
(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid is sourced from PubChem (CID 58249232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).