3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 64892475

IUPAC3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCC1CCCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(8-5-11)13(19)15-14(12(17)18)6-9-20-10-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFNWCHNZASFWAFV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid

3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64892475) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64892475
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCC1CCCN(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(8-5-11)13(19)15-14(12(17)18)6-9-20-10-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFNWCHNZASFWAFV-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 79165623
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
3-[(2,3-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891666
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
N,4-diethylazepane-1-carboxamide
CID 89043568
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 64892475) is 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid is CCC1CCCN(C(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FNWCHNZASFWAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(8-5-11)13(19)15-14(12(17)18)6-9-20-10-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).