methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate

C12H20N2O4 — CID 66266602

IUPACmethyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCNC1COCC1C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)11(15)14-5-3-4-10(14)12(16)17-2/h8-10,13H,3-7H2,1-2H3
InChIKeyCJGISFQPFVANQQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.62
Rot. Bonds3

About methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 66266602) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
PubChem CID66266602
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCNC1COCC1C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)11(15)14-5-3-4-10(14)12(16)17-2/h8-10,13H,3-7H2,1-2H3
InChIKeyCJGISFQPFVANQQ-UHFFFAOYSA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66267016
[4-(methylamino)oxolan-3-yl]-(2-methylazepan-1-yl)methanone
CID 66266661
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
CID 66265069
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
4-[4-(methylamino)oxolane-3-carbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098461
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate (CID 66266602) is methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate is CNC1COCC1C(=O)N1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is CJGISFQPFVANQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-9-7-18-6-8(9)11(15)14-5-3-4-10(14)12(16)17-2/h8-10,13H,3-7H2,1-2H3.
What are the key properties of methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 66266602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).