methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C10H19NO4 — CID 18652571

IUPACmethyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m1/s1
InChIKeyWAXXSDTVMDEILX-SSDOTTSWSA-N
MW217.26 g/mol
LogP1.41
Rot. Bonds2

About methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 18652571) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID18652571
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m1/s1
InChIKeyWAXXSDTVMDEILX-SSDOTTSWSA-N
XLogP1.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 18652571) is methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is WAXXSDTVMDEILX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h7H,1-6H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 18652571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).