(3S)-3-aminopiperidine-2,6-dione

C5H8N2O2 — CID 11984188

IUPAC(3S)-3-aminopiperidine-2,6-dione
SMILESN[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
InChIKeyNPWMTBZSRRLQNJ-VKHMYHEASA-N
MW128.13 g/mol
LogP-1.25
Rot. Bonds

About (3S)-3-aminopiperidine-2,6-dione

(3S)-3-aminopiperidine-2,6-dione (PubChem CID 11984188) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3S)-3-aminopiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-aminopiperidine-2,6-dione
PubChem CID11984188
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(3S)-3-aminopiperidine-2,6-dione
SMILESN[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1
InChIKeyNPWMTBZSRRLQNJ-VKHMYHEASA-N
XLogP-1.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-aminopiperidin-2-one
CID 7200369
3-Amino-2-piperidone
CID 5200225
(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
3-Aminopiperidine-2,6-dione hydrochloride
CID 134548
(R)-3-Aminopiperidine-2-one
CID 7200371
5-Aminopiperidin-2-one
CID 18451415
N-(2,6-Dioxopiperidin-3-yl)acetamide
CID 15788111
Cyclo(-ala-gln)
CID 9209568
3-Amino-2,6-piperidinedione
CID 134508
N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 14289831
(S)-3-Aminopiperidine-2,6-dione hydrobromide
CID 11984187
(5S)-5-Amino-2-piperidinone
CID 10942387

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopiperidine-2,6-dione?
The IUPAC name of (3S)-3-aminopiperidine-2,6-dione (CID 11984188) is (3S)-3-aminopiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-aminopiperidine-2,6-dione?
The canonical SMILES for (3S)-3-aminopiperidine-2,6-dione is N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-aminopiperidine-2,6-dione?
The InChIKey is NPWMTBZSRRLQNJ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)/t3-/m0/s1.
What are the key properties of (3S)-3-aminopiperidine-2,6-dione?
(3S)-3-aminopiperidine-2,6-dione has a molecular weight of 128.13 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopiperidine-2,6-dione is sourced from PubChem (CID 11984188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).