(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate

C12H23NO3 — CID 107565799

IUPAC(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate
SMILESCCC[C@@H](N)C(=O)OC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-5-11(13)12(14)16-10-6-8(2)15-9(3)7-10/h8-11H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m1/s1
InChIKeyOGHGUCGKVXSVNQ-AHELAYONSA-N
MW229.32 g/mol
LogP1.61
Rot. Bonds4

About (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate

(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate (PubChem CID 107565799) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate.

Molecular Properties

Compound Name(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate
PubChem CID107565799
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate
SMILESCCC[C@@H](N)C(=O)OC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-5-11(13)12(14)16-10-6-8(2)15-9(3)7-10/h8-11H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m1/s1
InChIKeyOGHGUCGKVXSVNQ-AHELAYONSA-N
XLogP1.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxetan-3-yl 2-aminopentanoate
CID 102606817
cyclopentyl 2-aminopentanoate
CID 61278203
(3-methylcyclohexyl) 2-aminopentanoate
CID 61302315
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
(3,4-dimethylcyclohexyl) (2R)-2-amino-4-hydroxybutanoate
CID 107825403
methyl 2-aminopentanoate
CID 533890
trimethylsilyl (2S)-2-aminopentanoate
CID 140849909
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
[(1S,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-propylpentanoate
CID 71301123

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate?
The IUPAC name of (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate (CID 107565799) is (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate.
What is the SMILES notation for (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate?
The canonical SMILES for (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate is CCC[C@@H](N)C(=O)OC1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate?
The InChIKey is OGHGUCGKVXSVNQ-AHELAYONSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-5-11(13)12(14)16-10-6-8(2)15-9(3)7-10/h8-11H,4-7,13H2,1-3H3/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate?
(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate is sourced from PubChem (CID 107565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).