5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid

C13H21NO5 — CID 54916732

IUPAC5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCOC(=O)CC1CCCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C13H21NO5/c1-19-13(18)9-10-5-2-3-8-14(10)11(15)6-4-7-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyLUPNBRZGCOYMJL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.19
Rot. Bonds6

About 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid

5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 54916732) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID54916732
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCOC(=O)CC1CCCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C13H21NO5/c1-19-13(18)9-10-5-2-3-8-14(10)11(15)6-4-7-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyLUPNBRZGCOYMJL-UHFFFAOYSA-N
XLogP1.19
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159
methyl 2-[1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidin-2-yl]acetate
CID 61009428

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid (CID 54916732) is 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid is COC(=O)CC1CCCCN1C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is LUPNBRZGCOYMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-19-13(18)9-10-5-2-3-8-14(10)11(15)6-4-7-12(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid?
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 271.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 54916732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).