tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate

C15H27NO4 — CID 59552191

IUPACtert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1(O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H27NO4/c1-7-8-15(18)10(2)9-12(11(3)19-15)16-13(17)20-14(4,5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,15?/m0/s1
InChIKeyHVOPLAIZHAJLNQ-GGNMWRFESA-N
MW285.38 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate

tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate (PubChem CID 59552191) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
PubChem CID59552191
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1(O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C15H27NO4/c1-7-8-15(18)10(2)9-12(11(3)19-15)16-13(17)20-14(4,5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,15?/m0/s1
InChIKeyHVOPLAIZHAJLNQ-GGNMWRFESA-N
XLogP2.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate (CID 59552191) is tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate is C=CCC1(O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C.
What is the InChIKey of tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
The InChIKey is HVOPLAIZHAJLNQ-GGNMWRFESA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-8-15(18)10(2)9-12(11(3)19-15)16-13(17)20-14(4,5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,16,17)/t10-,11+,12+,15?/m0/s1.
What are the key properties of tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate?
tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate has a molecular weight of 285.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,5S)-6-hydroxy-2,5-dimethyl-6-prop-2-enyloxan-3-yl]carbamate is sourced from PubChem (CID 59552191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).