(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione

C9H16N2O2 — CID 39221101

IUPAC(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CN1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-3-7(10)9(11)13/h6-7H,3-5,10H2,1-2H3/t7-/m0/s1
InChIKeySPLRKQCPTSZNTK-ZETCQYMHSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds2

About (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione

(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 39221101) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
PubChem CID39221101
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CN1C(=O)CC[C@H](N)C1=O
InChIInChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-3-7(10)9(11)13/h6-7H,3-5,10H2,1-2H3/t7-/m0/s1
InChIKeySPLRKQCPTSZNTK-ZETCQYMHSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
CID 107913499
3-amino-1-(2-propoxyethyl)piperidine-2,6-dione
CID 106456413
3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 105441620
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
(3S)-3-amino-1-(pyridin-4-ylmethyl)piperidine-2,6-dione
CID 39221150
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
(3S)-3-amino-1-[(1-phenylcyclopropyl)methyl]piperidine-2,6-dione
CID 39221305
1-[(2S)-2-aminopropyl]pyrrolidine-2,5-dione
CID 30813187
1,5-bis(2-methylpropyl)pyrrolidin-2-one
CID 139951379
5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 58733449
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione (CID 39221101) is (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione is CC(C)CN1C(=O)CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is SPLRKQCPTSZNTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)5-11-8(12)4-3-7(10)9(11)13/h6-7H,3-5,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione?
(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 39221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).