8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid

C11H23N3O3 — CID 66222169

IUPAC8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
SMILESCNC(CCCCC(C)(NC)C(=O)O)C(N)=O
InChIInChI=1S/C11H23N3O3/c1-11(14-3,10(16)17)7-5-4-6-8(13-2)9(12)15/h8,13-14H,4-7H2,1-3H3,(H2,12,15)(H,16,17)
InChIKeyUJLVKCRZPUJJKT-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.32
Rot. Bonds9

About 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid

8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid (PubChem CID 66222169) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
PubChem CID66222169
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid
SMILESCNC(CCCCC(C)(NC)C(=O)O)C(N)=O
InChIInChI=1S/C11H23N3O3/c1-11(14-3,10(16)17)7-5-4-6-8(13-2)9(12)15/h8,13-14H,4-7H2,1-3H3,(H2,12,15)(H,16,17)
InChIKeyUJLVKCRZPUJJKT-UHFFFAOYSA-N
XLogP-0.32
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid?
The IUPAC name of 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid (CID 66222169) is 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid.
What is the SMILES notation for 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid?
The canonical SMILES for 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid is CNC(CCCCC(C)(NC)C(=O)O)C(N)=O.
What is the InChIKey of 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid?
The InChIKey is UJLVKCRZPUJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(14-3,10(16)17)7-5-4-6-8(13-2)9(12)15/h8,13-14H,4-7H2,1-3H3,(H2,12,15)(H,16,17).
What are the key properties of 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid?
8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid has a molecular weight of 245.32 g/mol, XLogP of -0.32, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-2,7-bis(methylamino)-8-oxooctanoic acid is sourced from PubChem (CID 66222169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).