methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate

C17H28N2O5 — CID 84580125

IUPACmethyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H28N2O5/c1-11(2)19-9-13(8-14(19)20)15(21)18-10-17(23)6-4-12(5-7-17)16(22)24-3/h11-13,23H,4-10H2,1-3H3,(H,18,21)
InChIKeyKLWLJRORWBJIGU-UHFFFAOYSA-N
MW340.42 g/mol
LogP0.45
Rot. Bonds5

About methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate

methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 84580125) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID84580125
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Namemethyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H28N2O5/c1-11(2)19-9-13(8-14(19)20)15(21)18-10-17(23)6-4-12(5-7-17)16(22)24-3/h11-13,23H,4-10H2,1-3H3,(H,18,21)
InChIKeyKLWLJRORWBJIGU-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate (CID 84580125) is methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(O)(CNC(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is KLWLJRORWBJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-11(2)19-9-13(8-14(19)20)15(21)18-10-17(23)6-4-12(5-7-17)16(22)24-3/h11-13,23H,4-10H2,1-3H3,(H,18,21).
What are the key properties of methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 84580125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).