1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C15H23NO3 — CID 106977101

IUPAC1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CC2CC2C1
InChIInChI=1S/C15H23NO3/c1-2-4-15(14(18)19)5-3-6-16(15)13(17)12-8-10-7-11(10)9-12/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyMSUPDVWXXZALMD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds4

About 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977101) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977101
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CC2CC2C1
InChIInChI=1S/C15H23NO3/c1-2-4-15(14(18)19)5-3-6-16(15)13(17)12-8-10-7-11(10)9-12/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyMSUPDVWXXZALMD-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
1-(2-ethylpiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978208
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
2-ethyl-1-(4-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 83075872
1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977188
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977101) is 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1CC2CC2C1.
What is the InChIKey of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is MSUPDVWXXZALMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-4-15(14(18)19)5-3-6-16(15)13(17)12-8-10-7-11(10)9-12/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).