oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate

C13H17NO3 — CID 54977387

IUPACoxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
SMILESN[C@@H](C(=O)OCC1CCOC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c14-12(11-4-2-1-3-5-11)13(15)17-9-10-6-7-16-8-10/h1-5,10,12H,6-9,14H2/t10?,12-/m1/s1
InChIKeyHJZRHFQMJBZNCK-TVKKRMFBSA-N
MW235.28 g/mol
LogP1.27
Rot. Bonds4

About oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate

oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate (PubChem CID 54977387) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
PubChem CID54977387
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameoxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
SMILESN[C@@H](C(=O)OCC1CCOC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c14-12(11-4-2-1-3-5-11)13(15)17-9-10-6-7-16-8-10/h1-5,10,12H,6-9,14H2/t10?,12-/m1/s1
InChIKeyHJZRHFQMJBZNCK-TVKKRMFBSA-N
XLogP1.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl (2S)-2-amino-3-phenylpropanoate
CID 54977339
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
CID 138483017
2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
CID 106202488
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
(2R)-2-amino-N-(oxolan-3-yl)-2-phenylacetamide
CID 80713127
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
oxan-4-ylmethyl (2S)-2-amino-4-phenylbutanoate
CID 104983550
oxan-4-ylmethyl 2-amino-4-phenylbutanoate
CID 114918382
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate?
The IUPAC name of oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate (CID 54977387) is oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate.
What is the SMILES notation for oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate?
The canonical SMILES for oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate is N[C@@H](C(=O)OCC1CCOC1)c1ccccc1.
What is the InChIKey of oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate?
The InChIKey is HJZRHFQMJBZNCK-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H17NO3/c14-12(11-4-2-1-3-5-11)13(15)17-9-10-6-7-16-8-10/h1-5,10,12H,6-9,14H2/t10?,12-/m1/s1.
What are the key properties of oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate?
oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate has a molecular weight of 235.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate is sourced from PubChem (CID 54977387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).