oxan-2-ylmethyl 2-amino-5-methoxypentanoate

C12H23NO4 — CID 81085892

IUPACoxan-2-ylmethyl 2-amino-5-methoxypentanoate
SMILESCOCCCC(N)C(=O)OCC1CCCCO1
InChIInChI=1S/C12H23NO4/c1-15-7-4-6-11(13)12(14)17-9-10-5-2-3-8-16-10/h10-11H,2-9,13H2,1H3
InChIKeyMOIIXPQWJSXVEU-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.85
Rot. Bonds7

About oxan-2-ylmethyl 2-amino-5-methoxypentanoate

oxan-2-ylmethyl 2-amino-5-methoxypentanoate (PubChem CID 81085892) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-amino-5-methoxypentanoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-amino-5-methoxypentanoate
PubChem CID81085892
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameoxan-2-ylmethyl 2-amino-5-methoxypentanoate
SMILESCOCCCC(N)C(=O)OCC1CCCCO1
InChIInChI=1S/C12H23NO4/c1-15-7-4-6-11(13)12(14)17-9-10-5-2-3-8-16-10/h10-11H,2-9,13H2,1H3
InChIKeyMOIIXPQWJSXVEU-UHFFFAOYSA-N
XLogP0.85
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
2-amino-4-(oxan-2-ylmethoxy)butanamide
CID 63038916
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-amino-5-methoxypentanoate?
The IUPAC name of oxan-2-ylmethyl 2-amino-5-methoxypentanoate (CID 81085892) is oxan-2-ylmethyl 2-amino-5-methoxypentanoate.
What is the SMILES notation for oxan-2-ylmethyl 2-amino-5-methoxypentanoate?
The canonical SMILES for oxan-2-ylmethyl 2-amino-5-methoxypentanoate is COCCCC(N)C(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 2-amino-5-methoxypentanoate?
The InChIKey is MOIIXPQWJSXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-15-7-4-6-11(13)12(14)17-9-10-5-2-3-8-16-10/h10-11H,2-9,13H2,1H3.
What are the key properties of oxan-2-ylmethyl 2-amino-5-methoxypentanoate?
oxan-2-ylmethyl 2-amino-5-methoxypentanoate has a molecular weight of 245.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-amino-5-methoxypentanoate is sourced from PubChem (CID 81085892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).