methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate

C16H26N2O6 — CID 175117134

IUPACmethyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)C2(CO)CCCN2C(=O)C(C)C)CCOC1
InChIInChI=1S/C16H26N2O6/c1-11(2)12(20)18-7-4-5-16(18,9-19)13(21)17-15(14(22)23-3)6-8-24-10-15/h11,19H,4-10H2,1-3H3,(H,17,21)
InChIKeyDAAXDBGZWNZNDR-UHFFFAOYSA-N
MW342.39 g/mol
LogP-0.56
Rot. Bonds5

About methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate

methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate (PubChem CID 175117134) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate
PubChem CID175117134
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Namemethyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate
SMILESCOC(=O)C1(NC(=O)C2(CO)CCCN2C(=O)C(C)C)CCOC1
InChIInChI=1S/C16H26N2O6/c1-11(2)12(20)18-7-4-5-16(18,9-19)13(21)17-15(14(22)23-3)6-8-24-10-15/h11,19H,4-10H2,1-3H3,(H,17,21)
InChIKeyDAAXDBGZWNZNDR-UHFFFAOYSA-N
XLogP-0.56
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate?
The IUPAC name of methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate (CID 175117134) is methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate.
What is the SMILES notation for methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate?
The canonical SMILES for methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate is COC(=O)C1(NC(=O)C2(CO)CCCN2C(=O)C(C)C)CCOC1.
What is the InChIKey of methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate?
The InChIKey is DAAXDBGZWNZNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-11(2)12(20)18-7-4-5-16(18,9-19)13(21)17-15(14(22)23-3)6-8-24-10-15/h11,19H,4-10H2,1-3H3,(H,17,21).
What are the key properties of methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate?
methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate has a molecular weight of 342.39 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate is sourced from PubChem (CID 175117134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).