methyl 2-(oxan-4-ylamino)hexanoate

C12H23NO3 — CID 103830638

IUPACmethyl 2-(oxan-4-ylamino)hexanoate
SMILESCCCCC(NC1CCOCC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-10-6-8-16-9-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyKJPKJVSXTHMEIC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-(oxan-4-ylamino)hexanoate

methyl 2-(oxan-4-ylamino)hexanoate (PubChem CID 103830638) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(oxan-4-ylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(oxan-4-ylamino)hexanoate
PubChem CID103830638
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(oxan-4-ylamino)hexanoate
SMILESCCCCC(NC1CCOCC1)C(=O)OC
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-10-6-8-16-9-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyKJPKJVSXTHMEIC-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
methyl 2-(oxan-4-ylsulfanyl)hexanoate
CID 115766569
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
CID 103254067

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-4-ylamino)hexanoate?
The IUPAC name of methyl 2-(oxan-4-ylamino)hexanoate (CID 103830638) is methyl 2-(oxan-4-ylamino)hexanoate.
What is the SMILES notation for methyl 2-(oxan-4-ylamino)hexanoate?
The canonical SMILES for methyl 2-(oxan-4-ylamino)hexanoate is CCCCC(NC1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-(oxan-4-ylamino)hexanoate?
The InChIKey is KJPKJVSXTHMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-11(12(14)15-2)13-10-6-8-16-9-7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-(oxan-4-ylamino)hexanoate?
methyl 2-(oxan-4-ylamino)hexanoate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-4-ylamino)hexanoate is sourced from PubChem (CID 103830638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).