(3S,4R)-4-hydroxypiperidine-3-carboxylic acid

C6H11NO3 — CID 21125089

IUPAC(3S,4R)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNCC[C@H]1O
InChIInChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyDAMFVOCECLPLSI-CRCLSJGQSA-N
MW145.16 g/mol
LogP-0.96
Rot. Bonds1

About (3S,4R)-4-hydroxypiperidine-3-carboxylic acid

(3S,4R)-4-hydroxypiperidine-3-carboxylic acid (PubChem CID 21125089) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3S,4R)-4-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-hydroxypiperidine-3-carboxylic acid
PubChem CID21125089
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3S,4R)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNCC[C@H]1O
InChIInChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyDAMFVOCECLPLSI-CRCLSJGQSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-hydroxypiperidine-3-carboxylic acid (CID 21125089) is (3S,4R)-4-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-hydroxypiperidine-3-carboxylic acid is O=C(O)[C@H]1CNCC[C@H]1O.
What is the InChIKey of (3S,4R)-4-hydroxypiperidine-3-carboxylic acid?
The InChIKey is DAMFVOCECLPLSI-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-4-hydroxypiperidine-3-carboxylic acid?
(3S,4R)-4-hydroxypiperidine-3-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 21125089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).