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

C10H17NO4 — CID 68764875

IUPAC[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CCC1(O)CC[C@@H](NC(=O)O)[C@@H](C)O1
InChIInChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7(2)15-10)11-9(12)13/h3,7-8,11,14H,1,4-6H2,2H3,(H,12,13)/t7-,8-,10?/m1/s1
InChIKeyUFZLOAYQWYKNIW-SZBHIRRCSA-N
MW215.25 g/mol
LogP1.09
Rot. Bonds3

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

[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (PubChem CID 68764875) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
PubChem CID68764875
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid
SMILESC=CCC1(O)CC[C@@H](NC(=O)O)[C@@H](C)O1
InChIInChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7(2)15-10)11-9(12)13/h3,7-8,11,14H,1,4-6H2,2H3,(H,12,13)/t7-,8-,10?/m1/s1
InChIKeyUFZLOAYQWYKNIW-SZBHIRRCSA-N
XLogP1.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
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 [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The IUPAC name of [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid (CID 68764875) is [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid.
What is the SMILES notation for [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The canonical SMILES for [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is C=CCC1(O)CC[C@@H](NC(=O)O)[C@@H](C)O1.
What is the InChIKey of [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
The InChIKey is UFZLOAYQWYKNIW-SZBHIRRCSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-5-10(14)6-4-8(7(2)15-10)11-9(12)13/h3,7-8,11,14H,1,4-6H2,2H3,(H,12,13)/t7-,8-,10?/m1/s1.
What are the key properties of [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid?
[(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid has a molecular weight of 215.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-6-hydroxy-2-methyl-6-prop-2-enyloxan-3-yl]carbamic acid is sourced from PubChem (CID 68764875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).