(5S)-5-amino-2,7-dioxooctanamide

C8H14N2O3 — CID 135189804

IUPAC(5S)-5-amino-2,7-dioxooctanamide
SMILESCC(=O)C[C@@H](N)CCC(=O)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-5(11)4-6(9)2-3-7(12)8(10)13/h6H,2-4,9H2,1H3,(H2,10,13)/t6-/m0/s1
InChIKeyOCXVRRXGLWXCRM-LURJTMIESA-N
MW186.21 g/mol
LogP-0.87
Rot. Bonds6

About (5S)-5-amino-2,7-dioxooctanamide

(5S)-5-amino-2,7-dioxooctanamide (PubChem CID 135189804) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (5S)-5-amino-2,7-dioxooctanamide.

Molecular Properties

Compound Name(5S)-5-amino-2,7-dioxooctanamide
PubChem CID135189804
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(5S)-5-amino-2,7-dioxooctanamide
SMILESCC(=O)C[C@@H](N)CCC(=O)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-5(11)4-6(9)2-3-7(12)8(10)13/h6H,2-4,9H2,1H3,(H2,10,13)/t6-/m0/s1
InChIKeyOCXVRRXGLWXCRM-LURJTMIESA-N
XLogP-0.87
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5S)-5-amino-2,7-dioxooctanamide?
The IUPAC name of (5S)-5-amino-2,7-dioxooctanamide (CID 135189804) is (5S)-5-amino-2,7-dioxooctanamide.
What is the SMILES notation for (5S)-5-amino-2,7-dioxooctanamide?
The canonical SMILES for (5S)-5-amino-2,7-dioxooctanamide is CC(=O)C[C@@H](N)CCC(=O)C(N)=O.
What is the InChIKey of (5S)-5-amino-2,7-dioxooctanamide?
The InChIKey is OCXVRRXGLWXCRM-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(11)4-6(9)2-3-7(12)8(10)13/h6H,2-4,9H2,1H3,(H2,10,13)/t6-/m0/s1.
What are the key properties of (5S)-5-amino-2,7-dioxooctanamide?
(5S)-5-amino-2,7-dioxooctanamide has a molecular weight of 186.21 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-2,7-dioxooctanamide is sourced from PubChem (CID 135189804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).