benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate

C13H17NO4 — CID 10658378

IUPACbenzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H](O)[C@@H]1O
InChIInChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2/t11-,12-/m0/s1
InChIKeyVNESYKAPWPTFDV-RYUDHWBXSA-N
MW251.28 g/mol
LogP1.10
Rot. Bonds2

About benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate

benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate (PubChem CID 10658378) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate
PubChem CID10658378
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namebenzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H](O)[C@@H]1O
InChIInChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2/t11-,12-/m0/s1
InChIKeyVNESYKAPWPTFDV-RYUDHWBXSA-N
XLogP1.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl (2S,3S)-2,3-dihydroxypiperidine-1-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 benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate (CID 10658378) is benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H](O)[C@@H]1O.
What is the InChIKey of benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate?
The InChIKey is VNESYKAPWPTFDV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11-7-4-8-14(12(11)16)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15-16H,4,7-9H2/t11-,12-/m0/s1.
What are the key properties of benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate?
benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 10658378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).