oxan-4-ylmethyl 5-amino-2-methylpentanoate

C12H23NO3 — CID 104686033

IUPACoxan-4-ylmethyl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10(3-2-6-13)12(14)16-9-11-4-7-15-8-5-11/h10-11H,2-9,13H2,1H3
InChIKeyCGMWLSDJYQIZPE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds6

About oxan-4-ylmethyl 5-amino-2-methylpentanoate

oxan-4-ylmethyl 5-amino-2-methylpentanoate (PubChem CID 104686033) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is oxan-4-ylmethyl 5-amino-2-methylpentanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 5-amino-2-methylpentanoate
PubChem CID104686033
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameoxan-4-ylmethyl 5-amino-2-methylpentanoate
SMILESCC(CCCN)C(=O)OCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-10(3-2-6-13)12(14)16-9-11-4-7-15-8-5-11/h10-11H,2-9,13H2,1H3
InChIKeyCGMWLSDJYQIZPE-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
cyclopropylmethyl 4-amino-2-methylbutanoate
CID 80540087
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
cyclopropylmethyl 2-methylhexanoate
CID 67151240
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
oxan-4-ylmethyl 3-amino-2-methoxypropanoate
CID 106109501
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
oxan-4-ylmethyl 5-amino-4-methylpentanoate
CID 82687727
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
oxan-4-ylmethyl carbamate
CID 134587773

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 5-amino-2-methylpentanoate?
The IUPAC name of oxan-4-ylmethyl 5-amino-2-methylpentanoate (CID 104686033) is oxan-4-ylmethyl 5-amino-2-methylpentanoate.
What is the SMILES notation for oxan-4-ylmethyl 5-amino-2-methylpentanoate?
The canonical SMILES for oxan-4-ylmethyl 5-amino-2-methylpentanoate is CC(CCCN)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 5-amino-2-methylpentanoate?
The InChIKey is CGMWLSDJYQIZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(3-2-6-13)12(14)16-9-11-4-7-15-8-5-11/h10-11H,2-9,13H2,1H3.
What are the key properties of oxan-4-ylmethyl 5-amino-2-methylpentanoate?
oxan-4-ylmethyl 5-amino-2-methylpentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 5-amino-2-methylpentanoate is sourced from PubChem (CID 104686033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).