oxan-4-ylmethyl 6-amino-2-methylheptanoate

C14H27NO3 — CID 65285134

IUPACoxan-4-ylmethyl 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OCC1CCOCC1
InChIInChI=1S/C14H27NO3/c1-11(4-3-5-12(2)15)14(16)18-10-13-6-8-17-9-7-13/h11-13H,3-10,15H2,1-2H3
InChIKeyVOKMINREPFJXDA-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.11
Rot. Bonds7

About oxan-4-ylmethyl 6-amino-2-methylheptanoate

oxan-4-ylmethyl 6-amino-2-methylheptanoate (PubChem CID 65285134) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is oxan-4-ylmethyl 6-amino-2-methylheptanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 6-amino-2-methylheptanoate
PubChem CID65285134
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameoxan-4-ylmethyl 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OCC1CCOCC1
InChIInChI=1S/C14H27NO3/c1-11(4-3-5-12(2)15)14(16)18-10-13-6-8-17-9-7-13/h11-13H,3-10,15H2,1-2H3
InChIKeyVOKMINREPFJXDA-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
cyclopropylmethyl 2-methylhexanoate
CID 67151240
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 6-amino-2-methylheptanoate?
The IUPAC name of oxan-4-ylmethyl 6-amino-2-methylheptanoate (CID 65285134) is oxan-4-ylmethyl 6-amino-2-methylheptanoate.
What is the SMILES notation for oxan-4-ylmethyl 6-amino-2-methylheptanoate?
The canonical SMILES for oxan-4-ylmethyl 6-amino-2-methylheptanoate is CC(N)CCCC(C)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 6-amino-2-methylheptanoate?
The InChIKey is VOKMINREPFJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(4-3-5-12(2)15)14(16)18-10-13-6-8-17-9-7-13/h11-13H,3-10,15H2,1-2H3.
What are the key properties of oxan-4-ylmethyl 6-amino-2-methylheptanoate?
oxan-4-ylmethyl 6-amino-2-methylheptanoate has a molecular weight of 257.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 6-amino-2-methylheptanoate is sourced from PubChem (CID 65285134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).