(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid

C6H11NO5 — CID 11008471

IUPAC(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5-/m0/s1
InChIKeyZHFMVVUVCALAMY-KLVWXMOXSA-N
MW177.16 g/mol
LogP-2.87
Rot. Bonds1

About (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid

(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid (PubChem CID 11008471) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
PubChem CID11008471
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5-/m0/s1
InChIKeyZHFMVVUVCALAMY-KLVWXMOXSA-N
XLogP-2.87
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid (CID 11008471) is (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid?
The InChIKey is ZHFMVVUVCALAMY-KLVWXMOXSA-N. The full InChI is InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid?
(2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of -2.87, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 11008471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).