methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate

C19H35N3O9 — CID 73229767

IUPACmethyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C(CO)NC(=O)C(COC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35N3O9/c1-18(2,3)30-10-13(22-17(28)31-19(4,5)6)15(26)20-11(8-23)14(25)21-12(9-24)16(27)29-7/h11-13,23-24H,8-10H2,1-7H3,(H,20,26)(H,21,25)(H,22,28)
InChIKeyNNIJMHSKEGVJNE-UHFFFAOYSA-N
MW449.50 g/mol
LogP-1.18
Rot. Bonds10

About methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate

methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate (PubChem CID 73229767) has the molecular formula C19H35N3O9 and a molecular weight of 449.50 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate
PubChem CID73229767
Molecular FormulaC19H35N3O9
Molecular Weight449.50 g/mol
Exact Mass449.24
IUPAC Namemethyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C(CO)NC(=O)C(COC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35N3O9/c1-18(2,3)30-10-13(22-17(28)31-19(4,5)6)15(26)20-11(8-23)14(25)21-12(9-24)16(27)29-7/h11-13,23-24H,8-10H2,1-7H3,(H,20,26)(H,21,25)(H,22,28)
InChIKeyNNIJMHSKEGVJNE-UHFFFAOYSA-N
XLogP-1.18
TPSA172.52 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate (CID 73229767) is methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate is COC(=O)C(CO)NC(=O)C(CO)NC(=O)C(COC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate?
The InChIKey is NNIJMHSKEGVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O9/c1-18(2,3)30-10-13(22-17(28)31-19(4,5)6)15(26)20-11(8-23)14(25)21-12(9-24)16(27)29-7/h11-13,23-24H,8-10H2,1-7H3,(H,20,26)(H,21,25)(H,22,28).
What are the key properties of methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate?
methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate has a molecular weight of 449.50 g/mol, XLogP of -1.18, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[3-hydroxy-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoate is sourced from PubChem (CID 73229767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).