methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate

C19H34N2O5 — CID 5242807

IUPACmethyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate
SMILESCOC(=O)CC1(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C19H34N2O5/c1-17(2,3)26-16(24)21-18(4,5)15(23)20-13-19(12-14(22)25-6)10-8-7-9-11-19/h7-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyQHPRPHHGSHPLDF-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.92
Rot. Bonds6

About methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate

methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate (PubChem CID 5242807) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate
PubChem CID5242807
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Namemethyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate
SMILESCOC(=O)CC1(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C19H34N2O5/c1-17(2,3)26-16(24)21-18(4,5)15(23)20-13-19(12-14(22)25-6)10-8-7-9-11-19/h7-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyQHPRPHHGSHPLDF-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate (CID 5242807) is methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate is COC(=O)CC1(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate?
The InChIKey is QHPRPHHGSHPLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-17(2,3)26-16(24)21-18(4,5)15(23)20-13-19(12-14(22)25-6)10-8-7-9-11-19/h7-13H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate?
methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate has a molecular weight of 370.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]cyclohexyl]acetate is sourced from PubChem (CID 5242807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).