methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate

C13H22N2O4 — CID 112633018

IUPACmethyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N2O4/c1-9(12(17)14-5-3-4-6-14)15-8-10(16)7-11(15)13(18)19-2/h9-11,16H,3-8H2,1-2H3
InChIKeyWHPIGEUCAHONED-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.39
Rot. Bonds3

About methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 112633018) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate
PubChem CID112633018
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N2O4/c1-9(12(17)14-5-3-4-6-14)15-8-10(16)7-11(15)13(18)19-2/h9-11,16H,3-8H2,1-2H3
InChIKeyWHPIGEUCAHONED-UHFFFAOYSA-N
XLogP-0.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
CID 141060724
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
CID 112632682
methyl (2S,4R)-1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 154984807
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 112632626
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
methyl 4-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylate
CID 113422292
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate (CID 112633018) is methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(C)C(=O)N1CCCC1.
What is the InChIKey of methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is WHPIGEUCAHONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(12(17)14-5-3-4-6-14)15-8-10(16)7-11(15)13(18)19-2/h9-11,16H,3-8H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112633018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).