methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate

C16H32N2O3 — CID 64709610

IUPACmethyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C1CCOCC1)NC(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)17-16(4,15(19)20-6)11-13(3)18(5)14-7-9-21-10-8-14/h12-14,17H,7-11H2,1-6H3
InChIKeyVLLKJWQKYLWFOT-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds7

About methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate

methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate (PubChem CID 64709610) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
PubChem CID64709610
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C1CCOCC1)NC(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)17-16(4,15(19)20-6)11-13(3)18(5)14-7-9-21-10-8-14/h12-14,17H,7-11H2,1-6H3
InChIKeyVLLKJWQKYLWFOT-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate with MolForge

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
CID 64709217
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64711212
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate (CID 64709610) is methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CC(C)N(C)C1CCOCC1)NC(C)C.
What is the InChIKey of methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate?
The InChIKey is VLLKJWQKYLWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)17-16(4,15(19)20-6)11-13(3)18(5)14-7-9-21-10-8-14/h12-14,17H,7-11H2,1-6H3.
What are the key properties of methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate?
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64709610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).