1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 83073136

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C(=O)O)C2C)CCCN1
InChIInChI=1S/C13H22N2O3/c1-3-13(6-4-7-14-13)12(18)15-8-5-10(9(15)2)11(16)17/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDUTWPNPYPGKJRZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds3

About 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 83073136) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID83073136
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C(=O)O)C2C)CCCN1
InChIInChI=1S/C13H22N2O3/c1-3-13(6-4-7-14-13)12(18)15-8-5-10(9(15)2)11(16)17/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDUTWPNPYPGKJRZ-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
(2-ethylpyrrolidin-2-yl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 83073987
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 83072475
(3-ethylmorpholin-4-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83071481
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 83071372
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 83073136) is 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CCC1(C(=O)N2CCC(C(=O)O)C2C)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DUTWPNPYPGKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-13(6-4-7-14-13)12(18)15-8-5-10(9(15)2)11(16)17/h9-10,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83073136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).