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

C15H26N2O3 — CID 106975316

IUPAC1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1
InChIInChI=1S/C15H26N2O3/c1-2-8-15(9-6-10-16-15)14(20)17-11-5-3-4-7-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyNVMDVWWHUXQBRV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.76
Rot. Bonds4

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

1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid (PubChem CID 106975316) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
PubChem CID106975316
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1
InChIInChI=1S/C15H26N2O3/c1-2-8-15(9-6-10-16-15)14(20)17-11-5-3-4-7-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyNVMDVWWHUXQBRV-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974847
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974816
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
N-ethyl-4-(2-propylpyrrolidine-2-carbonyl)morpholine-3-carboxamide
CID 106975697

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid (CID 106975316) is 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid is CCCC1(C(=O)N2CCCCCC2C(=O)O)CCCN1.
What is the InChIKey of 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
The InChIKey is NVMDVWWHUXQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-8-15(9-6-10-16-15)14(20)17-11-5-3-4-7-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid?
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 106975316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).