methyl 3-[(3S)-piperidin-3-yl]propanoate

C9H17NO2 — CID 26342399

IUPACmethyl 3-[(3S)-piperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CCCNC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyVJCAJSGDZGKOBU-QMMMGPOBSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About methyl 3-[(3S)-piperidin-3-yl]propanoate

methyl 3-[(3S)-piperidin-3-yl]propanoate (PubChem CID 26342399) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 3-[(3S)-piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3S)-piperidin-3-yl]propanoate
PubChem CID26342399
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 3-[(3S)-piperidin-3-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CCCNC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyVJCAJSGDZGKOBU-QMMMGPOBSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(3S)-piperidin-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S)-piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[(3S)-piperidin-3-yl]propanoate (CID 26342399) is methyl 3-[(3S)-piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3S)-piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3S)-piperidin-3-yl]propanoate is COC(=O)CC[C@@H]1CCCNC1.
What is the InChIKey of methyl 3-[(3S)-piperidin-3-yl]propanoate?
The InChIKey is VJCAJSGDZGKOBU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl 3-[(3S)-piperidin-3-yl]propanoate?
methyl 3-[(3S)-piperidin-3-yl]propanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S)-piperidin-3-yl]propanoate is sourced from PubChem (CID 26342399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).