ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate

C11H21NO3 — CID 91367950

IUPACethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
SMILESCCOC(=O)[C@@H](N)[C@H]1CCCCCC1O
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3/t8-,9?,10-/m0/s1
InChIKeyMBURWQGOJWHGIS-SMILAEQMSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds3

About ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate

ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate (PubChem CID 91367950) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
PubChem CID91367950
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
SMILESCCOC(=O)[C@@H](N)[C@H]1CCCCCC1O
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3/t8-,9?,10-/m0/s1
InChIKeyMBURWQGOJWHGIS-SMILAEQMSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(2-bromocyclohexyl)propanedioate
CID 132573294
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
propyl 2-amino-2-cyclohexylacetate
CID 61016884
2-ethoxyethyl 2-amino-2-cyclohexylacetate
CID 61277823
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
diethyl 2-(2-chlorocyclohexyl)propanedioate
CID 70632513
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl 2-cyclohexyl-3-ethoxypropanoate
CID 66831061
ethyl 2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 14936847
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate?
The IUPAC name of ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate (CID 91367950) is ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate.
What is the SMILES notation for ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate?
The canonical SMILES for ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate is CCOC(=O)[C@@H](N)[C@H]1CCCCCC1O.
What is the InChIKey of ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate?
The InChIKey is MBURWQGOJWHGIS-SMILAEQMSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)10(12)8-6-4-3-5-7-9(8)13/h8-10,13H,2-7,12H2,1H3/t8-,9?,10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate?
ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate is sourced from PubChem (CID 91367950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).