1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H27NO2 — CID 106984632

IUPAC1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCC1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C15H27NO2/c1-11(2)15(14(17)18)7-8-16(10-15)12(3)9-13-5-4-6-13/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyHFRWPMIZVQDVSP-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds5

About 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984632) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984632
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(CC1CCC1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C15H27NO2/c1-11(2)15(14(17)18)7-8-16(10-15)12(3)9-13-5-4-6-13/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyHFRWPMIZVQDVSP-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-(1-cyclopropyl-2-methoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984620
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 107400103
1-(cyclohexylmethylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983688
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
1-(1-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984147
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
CID 106984768
2-[4-(1-cyclobutylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 113490288
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984299

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984632) is 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(CC1CCC1)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is HFRWPMIZVQDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)15(14(17)18)7-8-16(10-15)12(3)9-13-5-4-6-13/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).