(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid

C49H91N7O34 — CID 158628915

IUPAC(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)C1NCC(O)C(O)C1O.O=C(O)C1NCCCC1O.O=C(O)CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)CN1CC(O)C(O)C(O)C1CO.O=C(O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)[C@H]1NCCC[C@@H]1O.O=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO6.2C8H15NO6.2C6H11NO5.2C6H11NO3/c11-4-5-8(15)9(16)6(12)3-10(5)2-1-7(13)14;2*10-3-4-7(14)8(15)5(11)1-9(4)2-6(12)13;2*8-2-1-7-3(6(11)12)5(10)4(2)9;2*8-4-2-1-3-7-5(4)6(9)10/h5-6,8-9,11-12,15-16H,1-4H2,(H,13,14);2*4-5,7-8,10-11,14-15H,1-3H2,(H,12,13);2*2-5,7-10H,1H2,(H,11,12);2*4-5,7-8H,1-3H2,(H,9,10)/t5-,6+,8-,9-;4-,5+,7-,8-;;2-,3-,4+,5+;;4-,5-;/m11.0.0./s1
InChIKeyHYYDZESIWMKLER-PCGVRJBNSA-N
MW1322.28 g/mol
LogP-16.50
Rot. Bonds14

About (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid

(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid (PubChem CID 158628915) has the molecular formula C49H91N7O34 and a molecular weight of 1322.28 g/mol. Its IUPAC name is (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid
PubChem CID158628915
Molecular FormulaC49H91N7O34
Molecular Weight1322.28 g/mol
Exact Mass1321.56
IUPAC Name(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)C1NCC(O)C(O)C1O.O=C(O)C1NCCCC1O.O=C(O)CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)CN1CC(O)C(O)C(O)C1CO.O=C(O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)[C@H]1NCCC[C@@H]1O.O=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO6.2C8H15NO6.2C6H11NO5.2C6H11NO3/c11-4-5-8(15)9(16)6(12)3-10(5)2-1-7(13)14;2*10-3-4-7(14)8(15)5(11)1-9(4)2-6(12)13;2*8-2-1-7-3(6(11)12)5(10)4(2)9;2*8-4-2-1-3-7-5(4)6(9)10/h5-6,8-9,11-12,15-16H,1-4H2,(H,13,14);2*4-5,7-8,10-11,14-15H,1-3H2,(H,12,13);2*2-5,7-10H,1H2,(H,11,12);2*4-5,7-8H,1-3H2,(H,9,10)/t5-,6+,8-,9-;4-,5+,7-,8-;;2-,3-,4+,5+;;4-,5-;/m11.0.0./s1
InChIKeyHYYDZESIWMKLER-PCGVRJBNSA-N
XLogP-16.50
TPSA723.54 Ų
H-Bond Donors31
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.28
LogP ≤ 5-16.50
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1034

Analyze (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid with MolForge

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Related Compounds

6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
CID 4517716
6-[(2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid;hydrochloride
CID 171394490
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
CID 11707038
(3R,4R)-1-(12-aminododecyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 46780261
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 126968824
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
(2S)-2-(carboxyamino)pentanedioic acid;(2S)-3-hydroxypyrrolidine-2-carboxylic acid
CID 67304843
1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 75273736
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(trimethylsilylmethyl)piperidine-3,4,5-triol
CID 15218073

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid (CID 158628915) is (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid is O=C(O)C1NCC(O)C(O)C1O.O=C(O)C1NCCCC1O.O=C(O)CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)CN1CC(O)C(O)C(O)C1CO.O=C(O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.O=C(O)[C@H]1NCCC[C@@H]1O.O=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid?
The InChIKey is HYYDZESIWMKLER-PCGVRJBNSA-N. The full InChI is InChI=1S/C9H17NO6.2C8H15NO6.2C6H11NO5.2C6H11NO3/c11-4-5-8(15)9(16)6(12)3-10(5)2-1-7(13)14;2*10-3-4-7(14)8(15)5(11)1-9(4)2-6(12)13;2*8-2-1-7-3(6(11)12)5(10)4(2)9;2*8-4-2-1-3-7-5(4)6(9)10/h5-6,8-9,11-12,15-16H,1-4H2,(H,13,14);2*4-5,7-8,10-11,14-15H,1-3H2,(H,12,13);2*2-5,7-10H,1H2,(H,11,12);2*4-5,7-8H,1-3H2,(H,9,10)/t5-,6+,8-,9-;4-,5+,7-,8-;;2-,3-,4+,5+;;4-,5-;/m11.0.0./s1.
What are the key properties of (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid?
(2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid has a molecular weight of 1322.28 g/mol, XLogP of -16.50, 14 rotatable bonds, 31 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxypiperidine-2-carboxylic acid;3-hydroxypiperidine-2-carboxylic acid;2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;2-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]acetic acid;3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid;(2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid;3,4,5-trihydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 158628915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).