1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

C13H22N2O3 — CID 83071672

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCC2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-13(7-5-8-14-13)12(18)15-9-4-3-6-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyBECDYCOANIHGII-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds3

About 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 83071672) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID83071672
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCC2C(=O)O)CCCN1
InChIInChI=1S/C13H22N2O3/c1-2-13(7-5-8-14-13)12(18)15-9-4-3-6-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyBECDYCOANIHGII-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 83073136
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (CID 83071672) is 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is CCC1(C(=O)N2CCCCC2C(=O)O)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is BECDYCOANIHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(7-5-8-14-13)12(18)15-9-4-3-6-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 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)piperidine-2-carboxylic acid is sourced from PubChem (CID 83071672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).