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

C14H24N2O4 — CID 66239386

IUPAC4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2)4-3-6-16(7-5-14)13(19)15-11-9-20-8-10(11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGUYAEYYRIJUGGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds2

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

4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66239386) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66239386
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1(C)CCCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2)4-3-6-16(7-5-14)13(19)15-11-9-20-8-10(11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGUYAEYYRIJUGGW-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240346
4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 66240185
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66241377
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240131
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79877784
N-(4-aminooxolan-3-yl)pyrrolidine-1-carboxamide
CID 130719573
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66239386) is 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid is CC1(C)CCCN(C(=O)NC2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GUYAEYYRIJUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2)4-3-6-16(7-5-14)13(19)15-11-9-20-8-10(11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).