(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid

C6H11NO5 — CID 66850737

IUPAC(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@]1(O)[C@H](O)CCCN1O
InChIInChI=1S/C6H11NO5/c8-4-2-1-3-7(12)6(4,11)5(9)10/h4,8,11-12H,1-3H2,(H,9,10)/t4-,6-/m1/s1
InChIKeyBHJYABWRGNWMJO-INEUFUBQSA-N
MW177.16 g/mol
LogP-1.39
Rot. Bonds1

About (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid

(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid (PubChem CID 66850737) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid
PubChem CID66850737
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@]1(O)[C@H](O)CCCN1O
InChIInChI=1S/C6H11NO5/c8-4-2-1-3-7(12)6(4,11)5(9)10/h4,8,11-12H,1-3H2,(H,9,10)/t4-,6-/m1/s1
InChIKeyBHJYABWRGNWMJO-INEUFUBQSA-N
XLogP-1.39
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid (CID 66850737) is (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid is O=C(O)[C@]1(O)[C@H](O)CCCN1O.
What is the InChIKey of (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid?
The InChIKey is BHJYABWRGNWMJO-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11NO5/c8-4-2-1-3-7(12)6(4,11)5(9)10/h4,8,11-12H,1-3H2,(H,9,10)/t4-,6-/m1/s1.
What are the key properties of (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid?
(2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of -1.39, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2,3-trihydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 66850737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).