methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate

C13H21NO5 — CID 112632347

IUPACmethyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCC1CCCO1
InChIInChI=1S/C13H21NO5/c1-18-13(17)11-7-9(15)8-14(11)12(16)5-4-10-3-2-6-19-10/h9-11,15H,2-8H2,1H3
InChIKeyQWWQIAFWFSZFKL-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.08
Rot. Bonds4

About methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 112632347) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
PubChem CID112632347
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CCC1CCCO1
InChIInChI=1S/C13H21NO5/c1-18-13(17)11-7-9(15)8-14(11)12(16)5-4-10-3-2-6-19-10/h9-11,15H,2-8H2,1H3
InChIKeyQWWQIAFWFSZFKL-UHFFFAOYSA-N
XLogP0.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
CID 78954860
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971202
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 102786570
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate (CID 112632347) is methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)CCC1CCCO1.
What is the InChIKey of methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is QWWQIAFWFSZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-18-13(17)11-7-9(15)8-14(11)12(16)5-4-10-3-2-6-19-10/h9-11,15H,2-8H2,1H3.
What are the key properties of methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 271.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).