methyl 3-methyl-2-(oxan-4-ylamino)pentanoate

C12H23NO3 — CID 43732281

IUPACmethyl 3-methyl-2-(oxan-4-ylamino)pentanoate
SMILESCCC(C)C(NC1CCOCC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-4-9(2)11(12(14)15-3)13-10-5-7-16-8-6-10/h9-11,13H,4-8H2,1-3H3
InChIKeyVZBUAEFWOWHSCR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds5

About methyl 3-methyl-2-(oxan-4-ylamino)pentanoate

methyl 3-methyl-2-(oxan-4-ylamino)pentanoate (PubChem CID 43732281) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-methyl-2-(oxan-4-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(oxan-4-ylamino)pentanoate
PubChem CID43732281
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-methyl-2-(oxan-4-ylamino)pentanoate
SMILESCCC(C)C(NC1CCOCC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-4-9(2)11(12(14)15-3)13-10-5-7-16-8-6-10/h9-11,13H,4-8H2,1-3H3
InChIKeyVZBUAEFWOWHSCR-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(oxan-4-ylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(oxan-4-ylamino)pentanoate (CID 43732281) is methyl 3-methyl-2-(oxan-4-ylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(oxan-4-ylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(oxan-4-ylamino)pentanoate is CCC(C)C(NC1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(oxan-4-ylamino)pentanoate?
The InChIKey is VZBUAEFWOWHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-9(2)11(12(14)15-3)13-10-5-7-16-8-6-10/h9-11,13H,4-8H2,1-3H3.
What are the key properties of methyl 3-methyl-2-(oxan-4-ylamino)pentanoate?
methyl 3-methyl-2-(oxan-4-ylamino)pentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(oxan-4-ylamino)pentanoate is sourced from PubChem (CID 43732281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).