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

C10H17NO3 — CID 68765719

IUPAC[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CC[C@H]1CC[C@@H](NC(=O)O)[C@@H](C)O1
InChIInChI=1S/C10H17NO3/c1-3-4-8-5-6-9(7(2)14-8)11-10(12)13/h3,7-9,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyRMGCCJGVZZABAK-HRDYMLBCSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds3

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

[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (PubChem CID 68765719) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
PubChem CID68765719
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CC[C@H]1CC[C@@H](NC(=O)O)[C@@H](C)O1
InChIInChI=1S/C10H17NO3/c1-3-4-8-5-6-9(7(2)14-8)11-10(12)13/h3,7-9,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,9-/m1/s1
InChIKeyRMGCCJGVZZABAK-HRDYMLBCSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The IUPAC name of [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (CID 68765719) is [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.
What is the SMILES notation for [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The canonical SMILES for [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is C=CC[C@H]1CC[C@@H](NC(=O)O)[C@@H](C)O1.
What is the InChIKey of [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The InChIKey is RMGCCJGVZZABAK-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-8-5-6-9(7(2)14-8)11-10(12)13/h3,7-9,11H,1,4-6H2,2H3,(H,12,13)/t7-,8+,9-/m1/s1.
What are the key properties of [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid has a molecular weight of 199.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is sourced from PubChem (CID 68765719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).