(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid

C6H8N2O4 — CID 70469114

IUPAC(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid
SMILESN[C@]1(C(=O)O)CC(=O)CC(=O)N1
InChIInChI=1S/C6H8N2O4/c7-6(5(11)12)2-3(9)1-4(10)8-6/h1-2,7H2,(H,8,10)(H,11,12)/t6-/m1/s1
InChIKeyLSJKIBMZYAKJEW-ZCFIWIBFSA-N
MW172.14 g/mol
LogP-1.79
Rot. Bonds1

About (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid

(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid (PubChem CID 70469114) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid
PubChem CID70469114
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid
SMILESN[C@]1(C(=O)O)CC(=O)CC(=O)N1
InChIInChI=1S/C6H8N2O4/c7-6(5(11)12)2-3(9)1-4(10)8-6/h1-2,7H2,(H,8,10)(H,11,12)/t6-/m1/s1
InChIKeyLSJKIBMZYAKJEW-ZCFIWIBFSA-N
XLogP-1.79
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid?
The IUPAC name of (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid (CID 70469114) is (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid is N[C@]1(C(=O)O)CC(=O)CC(=O)N1.
What is the InChIKey of (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid?
The InChIKey is LSJKIBMZYAKJEW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8N2O4/c7-6(5(11)12)2-3(9)1-4(10)8-6/h1-2,7H2,(H,8,10)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid?
(2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid has a molecular weight of 172.14 g/mol, XLogP of -1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,6-dioxopiperidine-2-carboxylic acid is sourced from PubChem (CID 70469114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).