(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid

C9H15NO6 — CID 134159797

IUPAC(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid
SMILESO=C(OC1CCCNC1)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-5-2-1-3-10-4-5/h5-7,10-12H,1-4H2,(H,13,14)/t5?,6-,7+/m1/s1
InChIKeyZKIHDFMIZVFGMU-FWPZAIACSA-N
MW233.22 g/mol
LogP-1.91
Rot. Bonds4

About (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid

(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid (PubChem CID 134159797) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid
PubChem CID134159797
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid
SMILESO=C(OC1CCCNC1)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-5-2-1-3-10-4-5/h5-7,10-12H,1-4H2,(H,13,14)/t5?,6-,7+/m1/s1
InChIKeyZKIHDFMIZVFGMU-FWPZAIACSA-N
XLogP-1.91
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-3-yl 2-methylpropanoate
CID 53409773
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
2-phenyl-2-piperidin-3-yloxyacetamide
CID 102567779
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
azepan-3-yl 2,2-dimethylpropanoate
CID 174683431
(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
CID 76972105
2-methyl-3-piperidin-3-yloxypropanamide
CID 43312284
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid?
The IUPAC name of (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid (CID 134159797) is (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid is O=C(OC1CCCNC1)[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid?
The InChIKey is ZKIHDFMIZVFGMU-FWPZAIACSA-N. The full InChI is InChI=1S/C9H15NO6/c11-6(8(13)14)7(12)9(15)16-5-2-1-3-10-4-5/h5-7,10-12H,1-4H2,(H,13,14)/t5?,6-,7+/m1/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid?
(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid has a molecular weight of 233.22 g/mol, XLogP of -1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid is sourced from PubChem (CID 134159797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).