methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate

C15H24N2O4 — CID 64837033

IUPACmethyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C15H24N2O4/c1-14(2)9-10(14)12(19)17(11(9)18)8-6-5-7-15(3,16)13(20)21-4/h9-10H,5-8,16H2,1-4H3
InChIKeyKVULJKCEWAIZSZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.69
Rot. Bonds6

About methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate

methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate (PubChem CID 64837033) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate
PubChem CID64837033
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate
SMILESCOC(=O)C(C)(N)CCCCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C15H24N2O4/c1-14(2)9-10(14)12(19)17(11(9)18)8-6-5-7-15(3,16)13(20)21-4/h9-10H,5-8,16H2,1-4H3
InChIKeyKVULJKCEWAIZSZ-UHFFFAOYSA-N
XLogP0.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate?
The IUPAC name of methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate (CID 64837033) is methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate.
What is the SMILES notation for methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate?
The canonical SMILES for methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate is COC(=O)C(C)(N)CCCCN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate?
The InChIKey is KVULJKCEWAIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2)9-10(14)12(19)17(11(9)18)8-6-5-7-15(3,16)13(20)21-4/h9-10H,5-8,16H2,1-4H3.
What are the key properties of methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate?
methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate has a molecular weight of 296.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylhexanoate is sourced from PubChem (CID 64837033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).