dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate

C10H17NO5 — CID 139799351

IUPACdimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](OC)CN1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-14-7-4-5-8(9(12)15-2)11(6-7)10(13)16-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGFYJJKMWQZVNBD-SFYZADRCSA-N
MW231.25 g/mol
LogP0.41
Rot. Bonds2

About dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate

dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate (PubChem CID 139799351) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate
PubChem CID139799351
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](OC)CN1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-14-7-4-5-8(9(12)15-2)11(6-7)10(13)16-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGFYJJKMWQZVNBD-SFYZADRCSA-N
XLogP0.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl (2S,5R)-5-acetyloxypiperidine-1,2-dicarboxylate
CID 139799358
1-O-tert-butyl 2-O-methyl (4S)-4-methoxypyrrolidine-1,2-dicarboxylate
CID 112547208
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523
4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
1-O-tert-butyl 2-O-methyl (2S,5S)-5-aminopiperidine-1,2-dicarboxylate
CID 118989052
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
1-O-tert-butyl 2-O-methyl (2S,5R)-5-(hydroxyamino)piperidine-1,2-dicarboxylate
CID 56605105
1-O-benzyl 2-O-methyl (2S,5S)-5-methylsulfonyloxypiperidine-1,2-dicarboxylate
CID 11749045
2-hydroxy-5-methoxypiperidine-1-carboxylic acid
CID 151000753
dimethyl (3aS,6S,7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5,6-dicarboxylate
CID 71605872

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate (CID 139799351) is dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate is COC(=O)[C@@H]1CC[C@@H](OC)CN1C(=O)OC.
What is the InChIKey of dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate?
The InChIKey is GFYJJKMWQZVNBD-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO5/c1-14-7-4-5-8(9(12)15-2)11(6-7)10(13)16-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate?
dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 139799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).