(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid

C6H11NO4 — CID 10197830

IUPAC(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1
InChIKeySSMLJUWXZFXWSF-VPENINKCSA-N
MW161.16 g/mol
LogP-1.99
Rot. Bonds1

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

(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid (PubChem CID 10197830) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
PubChem CID10197830
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1
InChIKeySSMLJUWXZFXWSF-VPENINKCSA-N
XLogP-1.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid?
The IUPAC name of (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid (CID 10197830) is (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid?
The canonical SMILES for (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid?
The InChIKey is SSMLJUWXZFXWSF-VPENINKCSA-N. The full InChI is InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1.
What are the key properties of (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid?
(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -1.99, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 10197830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).