4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid

C14H26N2O3 — CID 65075816

IUPAC4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid
SMILESCCCN(C(C)=O)C1(C(=O)O)CCCN(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-9-16(12(3)17)14(13(18)19)7-6-10-15(5-2)11-8-14/h4-11H2,1-3H3,(H,18,19)
InChIKeyZVRHPJUIZKTFOO-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.57
Rot. Bonds5

About 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid

4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid (PubChem CID 65075816) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid
PubChem CID65075816
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid
SMILESCCCN(C(C)=O)C1(C(=O)O)CCCN(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-9-16(12(3)17)14(13(18)19)7-6-10-15(5-2)11-8-14/h4-11H2,1-3H3,(H,18,19)
InChIKeyZVRHPJUIZKTFOO-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid?
The IUPAC name of 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid (CID 65075816) is 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid.
What is the SMILES notation for 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid?
The canonical SMILES for 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid is CCCN(C(C)=O)C1(C(=O)O)CCCN(CC)CC1.
What is the InChIKey of 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid?
The InChIKey is ZVRHPJUIZKTFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9-16(12(3)17)14(13(18)19)7-6-10-15(5-2)11-8-14/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid?
4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid is sourced from PubChem (CID 65075816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).