(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione

C6H11N3O2 — CID 58093274

IUPAC(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
SMILESCN1C[C@@H](CN)NC(=O)C1=O
InChIInChI=1S/C6H11N3O2/c1-9-3-4(2-7)8-5(10)6(9)11/h4H,2-3,7H2,1H3,(H,8,10)/t4-/m1/s1
InChIKeyQKCZMAMFSKIFJP-SCSAIBSYSA-N
MW157.17 g/mol
LogP-2.10
Rot. Bonds1

About (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione

(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione (PubChem CID 58093274) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
PubChem CID58093274
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
SMILESCN1C[C@@H](CN)NC(=O)C1=O
InChIInChI=1S/C6H11N3O2/c1-9-3-4(2-7)8-5(10)6(9)11/h4H,2-3,7H2,1H3,(H,8,10)/t4-/m1/s1
InChIKeyQKCZMAMFSKIFJP-SCSAIBSYSA-N
XLogP-2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione?
The IUPAC name of (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione (CID 58093274) is (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione.
What is the SMILES notation for (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione?
The canonical SMILES for (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione is CN1C[C@@H](CN)NC(=O)C1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione?
The InChIKey is QKCZMAMFSKIFJP-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9-3-4(2-7)8-5(10)6(9)11/h4H,2-3,7H2,1H3,(H,8,10)/t4-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione?
(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione has a molecular weight of 157.17 g/mol, XLogP of -2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione is sourced from PubChem (CID 58093274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).