(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 79014107

IUPAC(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(2)10-5-3-7-14(10)13(18)15-8-4-6-11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyVGBYZGRXJIOKNM-RRKGBCIJSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds2

About (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 79014107) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID79014107
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(2)10-5-3-7-14(10)13(18)15-8-4-6-11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyVGBYZGRXJIOKNM-RRKGBCIJSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 65319939

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 79014107) is (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VGBYZGRXJIOKNM-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)10-5-3-7-14(10)13(18)15-8-4-6-11(15)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79014107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).