cyclobutyl 4-aminooxane-4-carboxylate

C10H17NO3 — CID 115292709

IUPACcyclobutyl 4-aminooxane-4-carboxylate
SMILESNC1(C(=O)OC2CCC2)CCOCC1
InChIInChI=1S/C10H17NO3/c11-10(4-6-13-7-5-10)9(12)14-8-2-1-3-8/h8H,1-7,11H2
InChIKeyQFYYFHTVXSLHGH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.59
Rot. Bonds2

About cyclobutyl 4-aminooxane-4-carboxylate

cyclobutyl 4-aminooxane-4-carboxylate (PubChem CID 115292709) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is cyclobutyl 4-aminooxane-4-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-aminooxane-4-carboxylate
PubChem CID115292709
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namecyclobutyl 4-aminooxane-4-carboxylate
SMILESNC1(C(=O)OC2CCC2)CCOCC1
InChIInChI=1S/C10H17NO3/c11-10(4-6-13-7-5-10)9(12)14-8-2-1-3-8/h8H,1-7,11H2
InChIKeyQFYYFHTVXSLHGH-UHFFFAOYSA-N
XLogP0.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
CID 113280395
oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
CID 81161404
4-cyclobutyloxyoxane-4-carboxylic acid
CID 82237407
(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
CID 64890439
oxetan-3-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 102606951
(4-aminooxan-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113280563
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
CID 115293762
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637
(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 61283415
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
cyclopentyl 1-aminocyclobutane-1-carboxylate;4-methylbenzenesulfonic acid
CID 86720670

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-aminooxane-4-carboxylate?
The IUPAC name of cyclobutyl 4-aminooxane-4-carboxylate (CID 115292709) is cyclobutyl 4-aminooxane-4-carboxylate.
What is the SMILES notation for cyclobutyl 4-aminooxane-4-carboxylate?
The canonical SMILES for cyclobutyl 4-aminooxane-4-carboxylate is NC1(C(=O)OC2CCC2)CCOCC1.
What is the InChIKey of cyclobutyl 4-aminooxane-4-carboxylate?
The InChIKey is QFYYFHTVXSLHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-10(4-6-13-7-5-10)9(12)14-8-2-1-3-8/h8H,1-7,11H2.
What are the key properties of cyclobutyl 4-aminooxane-4-carboxylate?
cyclobutyl 4-aminooxane-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-aminooxane-4-carboxylate is sourced from PubChem (CID 115292709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).