2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid

C9H15NO6 — CID 70259588

IUPAC2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)ON1CCCCC1
InChIInChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-10-4-2-1-3-5-10/h6-7,11-12H,1-5H2,(H,13,14)
InChIKeyFWXSPGMIQUBKCF-UHFFFAOYSA-N
MW233.22 g/mol
LogP-1.26
Rot. Bonds4

About 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid

2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid (PubChem CID 70259588) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid
PubChem CID70259588
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid
SMILESO=C(O)C(O)C(O)C(=O)ON1CCCCC1
InChIInChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-10-4-2-1-3-5-10/h6-7,11-12H,1-5H2,(H,13,14)
InChIKeyFWXSPGMIQUBKCF-UHFFFAOYSA-N
XLogP-1.26
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl 2,2-dichloroacetate
CID 57250123
azepan-1-yl acetate
CID 67537261
benzene;piperidin-1-yl acetate
CID 66953580
(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 89355402
2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
CID 174577281
4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 173073115
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
CID 88745910
CID 88745910
CID 175721627
CID 175721627
dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid?
The IUPAC name of 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid (CID 70259588) is 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid?
The canonical SMILES for 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid is O=C(O)C(O)C(O)C(=O)ON1CCCCC1.
What is the InChIKey of 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid?
The InChIKey is FWXSPGMIQUBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-10-4-2-1-3-5-10/h6-7,11-12H,1-5H2,(H,13,14).
What are the key properties of 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid?
2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid has a molecular weight of 233.22 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-oxo-4-piperidin-1-yloxybutanoic acid is sourced from PubChem (CID 70259588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).