1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 82042127

IUPAC1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCCC1C(=O)O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-13(2,14-7-3-4-8-14)12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyBEZGULBDGHQDEG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds3

About 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid

1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 82042127) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID82042127
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C(=O)N1CCCC1C(=O)O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-13(2,14-7-3-4-8-14)12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyBEZGULBDGHQDEG-UHFFFAOYSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78955972
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
CID 66263390
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115426587
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2-tert-butylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 43209800
(2S)-1-(2-tert-butylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 28777898
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 82042127) is 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(C(=O)N1CCCC1C(=O)O)N1CCCC1.
What is the InChIKey of 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BEZGULBDGHQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,14-7-3-4-8-14)12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82042127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).