5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid

C11H19NO4 — CID 43590262

IUPAC5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H19NO4/c13-8-9-3-2-6-12(7-9)10(14)4-1-5-11(15)16/h9,13H,1-8H2,(H,15,16)
InChIKeyFZVIYDUDPWAWCT-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds5

About 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid

5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 43590262) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID43590262
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H19NO4/c13-8-9-3-2-6-12(7-9)10(14)4-1-5-11(15)16/h9,13H,1-8H2,(H,15,16)
InChIKeyFZVIYDUDPWAWCT-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 43422393
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid (CID 43590262) is 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCCC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is FZVIYDUDPWAWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-8-9-3-2-6-12(7-9)10(14)4-1-5-11(15)16/h9,13H,1-8H2,(H,15,16).
What are the key properties of 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid?
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 43590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).