4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid

C14H23NO5 — CID 65157417

IUPAC4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C14H23NO5/c1-7-8(2)20-9(3)12(7)13(16)15-6-10(19-4)5-11(15)14(17)18/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyMUXXKYKYHLXYPE-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.75
Rot. Bonds3

About 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65157417) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65157417
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C14H23NO5/c1-7-8(2)20-9(3)12(7)13(16)15-6-10(19-4)5-11(15)14(17)18/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyMUXXKYKYHLXYPE-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
CID 114422001
4-methoxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61159406
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
1-[(E)-but-2-enoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24706741
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
1-(4-chloro-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43208944
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 65157417) is 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)C2C(C)OC(C)C2C)C1.
What is the InChIKey of 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MUXXKYKYHLXYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-7-8(2)20-9(3)12(7)13(16)15-6-10(19-4)5-11(15)14(17)18/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65157417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).