oxan-2-ylmethyl 2-amino-2-cyclohexylacetate

C14H25NO3 — CID 61277423

IUPACoxan-2-ylmethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c15-13(11-6-2-1-3-7-11)14(16)18-10-12-8-4-5-9-17-12/h11-13H,1-10,15H2
InChIKeySUJOVSUHICDVKQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.01
Rot. Bonds4

About oxan-2-ylmethyl 2-amino-2-cyclohexylacetate

oxan-2-ylmethyl 2-amino-2-cyclohexylacetate (PubChem CID 61277423) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-amino-2-cyclohexylacetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-amino-2-cyclohexylacetate
PubChem CID61277423
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameoxan-2-ylmethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c15-13(11-6-2-1-3-7-11)14(16)18-10-12-8-4-5-9-17-12/h11-13H,1-10,15H2
InChIKeySUJOVSUHICDVKQ-UHFFFAOYSA-N
XLogP2.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
oxan-2-ylmethyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775737
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-amino-2-cyclohexylacetate?
The IUPAC name of oxan-2-ylmethyl 2-amino-2-cyclohexylacetate (CID 61277423) is oxan-2-ylmethyl 2-amino-2-cyclohexylacetate.
What is the SMILES notation for oxan-2-ylmethyl 2-amino-2-cyclohexylacetate?
The canonical SMILES for oxan-2-ylmethyl 2-amino-2-cyclohexylacetate is NC(C(=O)OCC1CCCCO1)C1CCCCC1.
What is the InChIKey of oxan-2-ylmethyl 2-amino-2-cyclohexylacetate?
The InChIKey is SUJOVSUHICDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c15-13(11-6-2-1-3-7-11)14(16)18-10-12-8-4-5-9-17-12/h11-13H,1-10,15H2.
What are the key properties of oxan-2-ylmethyl 2-amino-2-cyclohexylacetate?
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate has a molecular weight of 255.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-amino-2-cyclohexylacetate is sourced from PubChem (CID 61277423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).