5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid

C14H25NO4 — CID 55156728

IUPAC5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H25NO4/c1-14(2,10-13(18)19)9-12(17)15-7-4-3-5-11(15)6-8-16/h11,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyQWLBHWKVVYDIEN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.64
Rot. Bonds6

About 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55156728) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55156728
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1CCCCC1CCO
InChIInChI=1S/C14H25NO4/c1-14(2,10-13(18)19)9-12(17)15-7-4-3-5-11(15)6-8-16/h11,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyQWLBHWKVVYDIEN-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62933577
5-[2-(hydroxymethyl)azepan-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 116634322
5-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 55135986
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 82747297
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62049062
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61191605
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784488
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 55156728) is 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)N1CCCCC1CCO.
What is the InChIKey of 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is QWLBHWKVVYDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,10-13(18)19)9-12(17)15-7-4-3-5-11(15)6-8-16/h11,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55156728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).