1-[(2S)-2-aminopropyl]piperidine-2,6-dione

C8H14N2O2 — CID 93050253

IUPAC1-[(2S)-2-aminopropyl]piperidine-2,6-dione
SMILESC[C@H](N)CN1C(=O)CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-6(9)5-10-7(11)3-2-4-8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyVTSQDLMQHPZBEX-LURJTMIESA-N
MW170.21 g/mol
LogP-0.13
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]piperidine-2,6-dione

1-[(2S)-2-aminopropyl]piperidine-2,6-dione (PubChem CID 93050253) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]piperidine-2,6-dione
PubChem CID93050253
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[(2S)-2-aminopropyl]piperidine-2,6-dione
SMILESC[C@H](N)CN1C(=O)CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-6(9)5-10-7(11)3-2-4-8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyVTSQDLMQHPZBEX-LURJTMIESA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]piperidine-2,6-dione?
The IUPAC name of 1-[(2S)-2-aminopropyl]piperidine-2,6-dione (CID 93050253) is 1-[(2S)-2-aminopropyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2S)-2-aminopropyl]piperidine-2,6-dione is C[C@H](N)CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]piperidine-2,6-dione?
The InChIKey is VTSQDLMQHPZBEX-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(9)5-10-7(11)3-2-4-8(10)12/h6H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]piperidine-2,6-dione?
1-[(2S)-2-aminopropyl]piperidine-2,6-dione has a molecular weight of 170.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]piperidine-2,6-dione is sourced from PubChem (CID 93050253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).