2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate

C11H22N2O3 — CID 90725493

IUPAC2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(N)=O)C(=O)OCC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)7-16-10(15)8(13-4)5-6-9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyUEACFILEHLEQPN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds6

About 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate

2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate (PubChem CID 90725493) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate
PubChem CID90725493
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate
SMILESCNC(CCC(N)=O)C(=O)OCC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)7-16-10(15)8(13-4)5-6-9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyUEACFILEHLEQPN-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate?
The IUPAC name of 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate (CID 90725493) is 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate.
What is the SMILES notation for 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate?
The canonical SMILES for 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate is CNC(CCC(N)=O)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate?
The InChIKey is UEACFILEHLEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)7-16-10(15)8(13-4)5-6-9(12)14/h8,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate?
2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 5-amino-2-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 90725493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).