methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate

C10H19NO2 — CID 155820793

IUPACmethyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CC[C@@H](C)NC1
InChIInChI=1S/C10H19NO2/c1-8-3-4-9(7-11-8)5-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyPVZASVULAWRPFT-BDAKNGLRSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate

methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate (PubChem CID 155820793) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
PubChem CID155820793
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CC[C@@H](C)NC1
InChIInChI=1S/C10H19NO2/c1-8-3-4-9(7-11-8)5-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyPVZASVULAWRPFT-BDAKNGLRSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate 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 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
methyl 3-(oxan-4-yl)propanoate
CID 55296577
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate (CID 155820793) is methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate is COC(=O)CC[C@@H]1CC[C@@H](C)NC1.
What is the InChIKey of methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate?
The InChIKey is PVZASVULAWRPFT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-3-4-9(7-11-8)5-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate?
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate is sourced from PubChem (CID 155820793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).