methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate

C19H32N2O6 — CID 59256424

IUPACmethyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H32N2O6/c1-19(2,3)27-18(25)20-15(12-8-6-5-7-9-12)16(23)21-11-13(22)10-14(21)17(24)26-4/h12-15,22H,5-11H2,1-4H3,(H,20,25)
InChIKeyKZBUPZJIXDOLMY-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.59
Rot. Bonds4

About methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 59256424) has the molecular formula C19H32N2O6 and a molecular weight of 384.47 g/mol. Its IUPAC name is methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID59256424
Molecular FormulaC19H32N2O6
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Namemethyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H32N2O6/c1-19(2,3)27-18(25)20-15(12-8-6-5-7-9-12)16(23)21-11-13(22)10-14(21)17(24)26-4/h12-15,22H,5-11H2,1-4H3,(H,20,25)
InChIKeyKZBUPZJIXDOLMY-UHFFFAOYSA-N
XLogP1.59
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate (CID 59256424) is methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KZBUPZJIXDOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O6/c1-19(2,3)27-18(25)20-15(12-8-6-5-7-9-12)16(23)21-11-13(22)10-14(21)17(24)26-4/h12-15,22H,5-11H2,1-4H3,(H,20,25).
What are the key properties of methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 384.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 59256424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).