methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate

C14H24N2O6 — CID 155095643

IUPACmethyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(19)15-10-8-21-7-9(10)12(18)16(4)6-11(17)20-5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1
InChIKeyJGFSBROYAZWTPC-ZJUUUORDSA-N
MW316.35 g/mol
LogP0.16
Rot. Bonds4

About methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate

methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate (PubChem CID 155095643) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate
PubChem CID155095643
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namemethyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-13(19)15-10-8-21-7-9(10)12(18)16(4)6-11(17)20-5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1
InChIKeyJGFSBROYAZWTPC-ZJUUUORDSA-N
XLogP0.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate (CID 155095643) is methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate?
The InChIKey is JGFSBROYAZWTPC-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-14(2,3)22-13(19)15-10-8-21-7-9(10)12(18)16(4)6-11(17)20-5/h9-10H,6-8H2,1-5H3,(H,15,19)/t9-,10+/m1/s1.
What are the key properties of methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate?
methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate has a molecular weight of 316.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]acetate is sourced from PubChem (CID 155095643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).