4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid

C11H18N2O4 — CID 107530385

IUPAC4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCC(=O)N1)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(4-7-2-3-10(14)12-7)9-6-17-5-8(9)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFCPJJBZJAIZKJS-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds4

About 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid

4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 107530385) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID107530385
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCC(=O)N1)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-13(4-7-2-3-10(14)12-7)9-6-17-5-8(9)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFCPJJBZJAIZKJS-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

(6R,15S,18S)-6-amino-6-methyl-2,5,17-trioxo-8,13-dioxa-1,4,16-triazabicyclo[16.3.0]henicosane-15-carboxylic acid
CID 134150946
methyl (2S)-3-hydroxy-2-[[(2S)-1-[(2S)-1-(3-hydroxy-2-methylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 117891356
3-[[1-(2-Amino-3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]-4-ethoxybutanoic acid
CID 143111051
4-Ethoxy-3-(pyrrolidine-2-carbonylamino)butanoic acid
CID 143111053
methyl 3-[[(2R)-2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate
CID 156702885
Methyl 3-[[2-(hydroxymethyl)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylate
CID 175117134
(2-Acetyloxy-3-carboxypropyl)-(4-acetyloxypyrrolidine-2-carbonyl)-dimethylazanium
CID 16718185
1-(4-Methoxypyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 55149530
1-(4-Methoxypyrrolidine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719696
3-[[2-(2-Oxopyrrolidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888239
3-[(2-Carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888327
3-[(5-Oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889175

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid (CID 107530385) is 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid is CN(CC1CCC(=O)N1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FCPJJBZJAIZKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(4-7-2-3-10(14)12-7)9-6-17-5-8(9)11(15)16/h7-9H,2-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).