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

C14H25NO4 — CID 59552207

IUPACtert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1(O)CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO4/c1-6-8-14(17)9-7-11(10(2)18-14)15-12(16)19-13(3,4)5/h6,10-11,17H,1,7-9H2,2-5H3,(H,15,16)/t10-,11-,14?/m1/s1
InChIKeyTXSNEOWBFWYNHI-HRQHSXBYSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds3

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

tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate (PubChem CID 59552207) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
PubChem CID59552207
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
SMILESC=CCC1(O)CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO4/c1-6-8-14(17)9-7-11(10(2)18-14)15-12(16)19-13(3,4)5/h6,10-11,17H,1,7-9H2,2-5H3,(H,15,16)/t10-,11-,14?/m1/s1
InChIKeyTXSNEOWBFWYNHI-HRQHSXBYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
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)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate (CID 59552207) is tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate is C=CCC1(O)CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O1.
What is the InChIKey of tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
The InChIKey is TXSNEOWBFWYNHI-HRQHSXBYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-8-14(17)9-7-11(10(2)18-14)15-12(16)19-13(3,4)5/h6,10-11,17H,1,7-9H2,2-5H3,(H,15,16)/t10-,11-,14?/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate?
tert-butyl N-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.34, 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)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamate is sourced from PubChem (CID 59552207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).