methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C9H18N2O4 — CID 7018226

IUPACmethyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m1/s1
InChIKeyAXLHVTKGDPVANO-ZCFIWIBFSA-N
MW218.25 g/mol
LogP0.01
Rot. Bonds3

About methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 7018226) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID7018226
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m1/s1
InChIKeyAXLHVTKGDPVANO-ZCFIWIBFSA-N
XLogP0.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 7018226) is methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@H](N)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is AXLHVTKGDPVANO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 218.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 7018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).