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

C14H24N2O3 — CID 83072399

IUPAC1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-14(8-6-9-15-14)13(19)16-10-5-3-4-7-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)
InChIKeyFCNCUBWHWYQBER-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.37
Rot. Bonds3

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

1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid (PubChem CID 83072399) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
PubChem CID83072399
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-14(8-6-9-15-14)13(19)16-10-5-3-4-7-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)
InChIKeyFCNCUBWHWYQBER-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.37
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-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
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
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
(2-ethylpyrrolidin-2-yl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 83073987
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid (CID 83072399) is 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid is CCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The InChIKey is FCNCUBWHWYQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(8-6-9-15-14)13(19)16-10-5-3-4-7-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.37, 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)azepane-2-carboxylic acid is sourced from PubChem (CID 83072399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).