[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate

C15H19NO5 — CID 102510508

IUPAC[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCO[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-11(17)21-13-8-5-9-19-14(13)16-15(18)20-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeySLGCURZUMXWPHB-ZIAGYGMSSA-N
MW293.32 g/mol
LogP1.98
Rot. Bonds4

About [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate

[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate (PubChem CID 102510508) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
PubChem CID102510508
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCO[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-11(17)21-13-8-5-9-19-14(13)16-15(18)20-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeySLGCURZUMXWPHB-ZIAGYGMSSA-N
XLogP1.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
CID 102510511
[(1R,2R,3R,5R)-2,3-dihydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl] acetate
CID 167728386
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
[(3R,6S)-6-(phenylmethoxycarbonylamino)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102074961
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
[(2S,3R)-2-phenacyloxan-3-yl] acetate
CID 101372581
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate (CID 102510508) is [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate is CC(=O)O[C@@H]1CCCO[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate?
The InChIKey is SLGCURZUMXWPHB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO5/c1-11(17)21-13-8-5-9-19-14(13)16-15(18)20-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate?
[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate has a molecular weight of 293.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate is sourced from PubChem (CID 102510508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).