3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid

C10H15NO3 — CID 84720895

IUPAC3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(CC2CCC2)(C(=O)O)CN1
InChIInChI=1S/C10H15NO3/c12-8-5-10(6-11-8,9(13)14)4-7-2-1-3-7/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVGTPGFYXMVUBQM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds3

About 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid

3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 84720895) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID84720895
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(CC2CCC2)(C(=O)O)CN1
InChIInChI=1S/C10H15NO3/c12-8-5-10(6-11-8,9(13)14)4-7-2-1-3-7/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVGTPGFYXMVUBQM-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429733
3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 84727075
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
3-ethyl-6-oxopiperidine-3-carboxylic acid
CID 83529536
3-amino-5-oxopyrrolidine-3-carboxylic acid
CID 162691228
4-(9-oxabicyclo[6.1.0]nonan-4-ylmethyl)-9-oxabicyclo[6.1.0]nonane-4-carboxylic acid
CID 91423952
4-(cyclobutylmethyl)azepane-4-carboxamide
CID 84677931
7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
CID 107430581
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
CID 130596408
4-ethyl-4-methylpyrrolidin-2-one
CID 18784903
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 97184502
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 84720895) is 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C1CC(CC2CCC2)(C(=O)O)CN1.
What is the InChIKey of 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VGTPGFYXMVUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-5-10(6-11-8,9(13)14)4-7-2-1-3-7/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84720895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).