3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid

C14H23NO5 — CID 119257371

IUPAC3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(OCC1CCCO1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-10(20-8-11-4-3-7-19-11)12(16)15-6-5-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyWOCFWBJJTQVKQA-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.89
Rot. Bonds5

About 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119257371) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119257371
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(OCC1CCCO1)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-10(20-8-11-4-3-7-19-11)12(16)15-6-5-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyWOCFWBJJTQVKQA-UHFFFAOYSA-N
XLogP0.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124512423
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid (CID 119257371) is 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid is CC(OCC1CCCO1)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WOCFWBJJTQVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10(20-8-11-4-3-7-19-11)12(16)15-6-5-14(2,9-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).