methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate

C7H13NO3 — CID 54008430

IUPACmethyl (3R,4S)-4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyKQOGWNKGUKQZHP-RITPCOANSA-N
MW159.18 g/mol
LogP-0.87
Rot. Bonds1

About methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate

methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate (PubChem CID 54008430) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-hydroxypiperidine-3-carboxylate
PubChem CID54008430
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (3R,4S)-4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyKQOGWNKGUKQZHP-RITPCOANSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate (CID 54008430) is methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate is COC(=O)[C@@H]1CNCC[C@@H]1O.
What is the InChIKey of methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate?
The InChIKey is KQOGWNKGUKQZHP-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate?
methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 54008430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).