4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid

C14H24N2O4 — CID 65282177

IUPAC4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)N2CCOC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2)4-3-6-15(7-5-14)13(19)16-8-9-20-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyKONCNSSCUVKHOQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds1

About 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid

4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid (PubChem CID 65282177) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
PubChem CID65282177
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)N2CCOC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2)4-3-6-15(7-5-14)13(19)16-8-9-20-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyKONCNSSCUVKHOQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)morpholine-2-carboxylic acid
CID 63155350
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 81475507
4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
CID 63614048
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
1-(4-hydroxy-4-methylazepane-1-carbonyl)azetidine-3-carboxylic acid
CID 107405522

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid (CID 65282177) is 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid is CC1(C)CCCN(C(=O)N2CCOC(C(=O)O)C2)CC1.
What is the InChIKey of 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KONCNSSCUVKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2)4-3-6-15(7-5-14)13(19)16-8-9-20-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid?
4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65282177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).