methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate

C9H17NO3 — CID 178133237

IUPACmethyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(OC)CNCC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-9(13-3,6-10-5-7)8(11)12-2/h7,10H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyHACVRGXLSOWLAN-NETXQHHPSA-N
MW187.24 g/mol
LogP0.17
Rot. Bonds2

About methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate

methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate (PubChem CID 178133237) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
PubChem CID178133237
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(OC)CNCC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-9(13-3,6-10-5-7)8(11)12-2/h7,10H,4-6H2,1-3H3/t7?,9-/m0/s1
InChIKeyHACVRGXLSOWLAN-NETXQHHPSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-methoxy-5-methylpiperidine-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

Related Compounds

methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylate
CID 167739534
ethane;7-methyl-5-azaspiro[2.5]octane
CID 144927405
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl (1S,5S,8R)-8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 130985038
methyl 1-butanoyl-3-methylcyclobutane-1-carboxylate
CID 79560514
3-ethyl-5-methylpiperidine-3-carboxylic acid
CID 130899276
methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
CID 130001074
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate (CID 178133237) is methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate is COC(=O)[C@@]1(OC)CNCC(C)C1.
What is the InChIKey of methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate?
The InChIKey is HACVRGXLSOWLAN-NETXQHHPSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-4-9(13-3,6-10-5-7)8(11)12-2/h7,10H,4-6H2,1-3H3/t7?,9-/m0/s1.
What are the key properties of methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate?
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate is sourced from PubChem (CID 178133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).