1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 66267016

IUPAC1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCNC1COCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-12-8-6-17-5-7(8)10(14)13-4-2-3-9(13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyCTPGHKJHDVCCBG-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds3

About 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 66267016) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID66267016
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCNC1COCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-12-8-6-17-5-7(8)10(14)13-4-2-3-9(13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyCTPGHKJHDVCCBG-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153
[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-[4-(methylamino)oxolane-3-carbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098461
(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 122126119
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(3-ethylmorpholin-4-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66266572
1-(4-aminooxolane-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 66240806
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 66267016) is 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is CNC1COCC1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CTPGHKJHDVCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-12-8-6-17-5-7(8)10(14)13-4-2-3-9(13)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66267016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).