5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

C12H17NO6 — CID 102688728

IUPAC5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C12H17NO6/c1-18-12(17)7-4-5-13(6-7)10(14)8-2-3-9(19-8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyIOMXYYJUTQDIEK-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.36
Rot. Bonds3

About 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid

5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102688728) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102688728
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C12H17NO6/c1-18-12(17)7-4-5-13(6-7)10(14)8-2-3-9(19-8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyIOMXYYJUTQDIEK-UHFFFAOYSA-N
XLogP-0.36
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102945634
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
1-(5-ethyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119353921
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
(2R,5S)-5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944960
5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688229
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid (CID 102688728) is 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is COC(=O)C1CCN(C(=O)C2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is IOMXYYJUTQDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-18-12(17)7-4-5-13(6-7)10(14)8-2-3-9(19-8)11(15)16/h7-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid?
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).