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

C14H25NO4 — CID 67095357

IUPACtert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CCC1(O)CC[C@@H](N(C(=O)O)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO4/c1-6-8-14(18)9-7-11(10(2)19-14)15(12(16)17)13(3,4)5/h6,10-11,18H,1,7-9H2,2-5H3,(H,16,17)/t10-,11-,14?/m1/s1
InChIKeyAQQLPLUJLGPSGO-HRQHSXBYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds3

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

tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (PubChem CID 67095357) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
PubChem CID67095357
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CCC1(O)CC[C@@H](N(C(=O)O)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C14H25NO4/c1-6-8-14(18)9-7-11(10(2)19-14)15(12(16)17)13(3,4)5/h6,10-11,18H,1,7-9H2,2-5H3,(H,16,17)/t10-,11-,14?/m1/s1
InChIKeyAQQLPLUJLGPSGO-HRQHSXBYSA-N
XLogP2.60
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (CID 67095357) is tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is C=CCC1(O)CC[C@@H](N(C(=O)O)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The InChIKey is AQQLPLUJLGPSGO-HRQHSXBYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-8-14(18)9-7-11(10(2)19-14)15(12(16)17)13(3,4)5/h6,10-11,18H,1,7-9H2,2-5H3,(H,16,17)/t10-,11-,14?/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid has a molecular weight of 271.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is sourced from PubChem (CID 67095357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).