methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

C11H20N2O6 — CID 15403773

IUPACmethyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)12-5-8(15)13-7(6-14)9(16)18-4/h7,14H,5-6H2,1-4H3,(H,12,17)(H,13,15)/t7-/m0/s1
InChIKeyGRACYXDHYSXRSC-ZETCQYMHSA-N
MW276.29 g/mol
LogP-0.84
Rot. Bonds5

About methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate

methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate (PubChem CID 15403773) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
PubChem CID15403773
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Namemethyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)12-5-8(15)13-7(6-14)9(16)18-4/h7,14H,5-6H2,1-4H3,(H,12,17)(H,13,15)/t7-/m0/s1
InChIKeyGRACYXDHYSXRSC-ZETCQYMHSA-N
XLogP-0.84
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate (CID 15403773) is methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate is COC(=O)[C@H](CO)NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
The InChIKey is GRACYXDHYSXRSC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-11(2,3)19-10(17)12-5-8(15)13-7(6-14)9(16)18-4/h7,14H,5-6H2,1-4H3,(H,12,17)(H,13,15)/t7-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate?
methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate has a molecular weight of 276.29 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate is sourced from PubChem (CID 15403773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).