3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid

C8H13NO4 — CID 62232255

IUPAC3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C8H13NO4/c10-6-2-1-3-9(5-6)7(11)4-8(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyMUBUXCZHCXDLIX-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.56
Rot. Bonds2

About 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid

3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid (PubChem CID 62232255) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
PubChem CID62232255
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C8H13NO4/c10-6-2-1-3-9(5-6)7(11)4-8(12)13/h6,10H,1-5H2,(H,12,13)
InChIKeyMUBUXCZHCXDLIX-UHFFFAOYSA-N
XLogP-0.56
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
5-[(3S)-3-hydroxypiperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 107214953
1-(3-hydroxypiperidin-1-yl)but-3-en-1-one
CID 62677982
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
3-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dioxopropanoic acid
CID 126987511
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The IUPAC name of 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid (CID 62232255) is 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The canonical SMILES for 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid is O=C(O)CC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
The InChIKey is MUBUXCZHCXDLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-6-2-1-3-9(5-6)7(11)4-8(12)13/h6,10H,1-5H2,(H,12,13).
What are the key properties of 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid?
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid is sourced from PubChem (CID 62232255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).