methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate

C12H20N2O3 — CID 71918125

IUPACmethyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NCc1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3
InChIKeyYXORGFGGIJAMKM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.80
Rot. Bonds6

About methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate

methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate (PubChem CID 71918125) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
PubChem CID71918125
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
SMILESCCC(C)(CC(=O)OC)NCc1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3
InChIKeyYXORGFGGIJAMKM-UHFFFAOYSA-N
XLogP1.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate with MolForge

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Related Compounds

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Methyl 2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
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Tert-butyl 3-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]piperidine-1-carboxylate
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Methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
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1-((5-Methyl-1,2-oxazol-3-yl)methyl)-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The IUPAC name of methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate (CID 71918125) is methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The canonical SMILES for methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate is CCC(C)(CC(=O)OC)NCc1cc(C)on1.
What is the InChIKey of methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
The InChIKey is YXORGFGGIJAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-12(3,7-11(15)16-4)13-8-10-6-9(2)17-14-10/h6,13H,5,7-8H2,1-4H3.
What are the key properties of methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate?
methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate has a molecular weight of 240.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate is sourced from PubChem (CID 71918125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).