1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine

C14H26N2O3 — CID 169177339

IUPAC1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
SMILESCC(=O)N1CCC(C(=O)O)C1.CC(C)N1CCCC1
InChIInChI=1S/C7H11NO3.C7H15N/c1-5(9)8-3-2-6(4-8)7(10)11;1-7(2)8-5-3-4-6-8/h6H,2-4H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyCBCCIWRKZLCHPG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds2

About 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine

1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine (PubChem CID 169177339) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
PubChem CID169177339
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
SMILESCC(=O)N1CCC(C(=O)O)C1.CC(C)N1CCCC1
InChIInChI=1S/C7H11NO3.C7H15N/c1-5(9)8-3-2-6(4-8)7(10)11;1-7(2)8-5-3-4-6-8/h6H,2-4H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyCBCCIWRKZLCHPG-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
CID 124689424

Frequently Asked Questions

What is the IUPAC name of 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine (CID 169177339) is 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine is CC(=O)N1CCC(C(=O)O)C1.CC(C)N1CCCC1.
What is the InChIKey of 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine?
The InChIKey is CBCCIWRKZLCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C7H15N/c1-5(9)8-3-2-6(4-8)7(10)11;1-7(2)8-5-3-4-6-8/h6H,2-4H2,1H3,(H,10,11);7H,3-6H2,1-2H3.
What are the key properties of 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine?
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine has a molecular weight of 270.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 169177339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).