methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate

C14H25NO9 — CID 59841386

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)[C@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C14H25NO9/c1-14(2,3)24-13(21)15-7(12(20)22-4)11-10(19)9(18)8(17)6(5-16)23-11/h6-11,16-19H,5H2,1-4H3,(H,15,21)/t6?,7?,8-,9-,10?,11+/m0/s1
InChIKeyLJSLEOBGXHOULT-ZKQKCDIESA-N
MW351.35 g/mol
LogP-2.10
Rot. Bonds4

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate (PubChem CID 59841386) has the molecular formula C14H25NO9 and a molecular weight of 351.35 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate
PubChem CID59841386
Molecular FormulaC14H25NO9
Molecular Weight351.35 g/mol
Exact Mass351.15
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)[C@H]1OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C14H25NO9/c1-14(2,3)24-13(21)15-7(12(20)22-4)11-10(19)9(18)8(17)6(5-16)23-11/h6-11,16-19H,5H2,1-4H3,(H,15,21)/t6?,7?,8-,9-,10?,11+/m0/s1
InChIKeyLJSLEOBGXHOULT-ZKQKCDIESA-N
XLogP-2.10
TPSA154.78 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate (CID 59841386) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate is COC(=O)C(NC(=O)OC(C)(C)C)[C@H]1OC(CO)[C@H](O)[C@H](O)C1O.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate?
The InChIKey is LJSLEOBGXHOULT-ZKQKCDIESA-N. The full InChI is InChI=1S/C14H25NO9/c1-14(2,3)24-13(21)15-7(12(20)22-4)11-10(19)9(18)8(17)6(5-16)23-11/h6-11,16-19H,5H2,1-4H3,(H,15,21)/t6?,7?,8-,9-,10?,11+/m0/s1.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate has a molecular weight of 351.35 g/mol, XLogP of -2.10, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate is sourced from PubChem (CID 59841386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).